SCHEMBL1521952

SCHEMBL1521952

CC(C)(C)CNC(=O)C1CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.64
HSD17B10 Q99714 1/20 0.64
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.42
HTT P42858 1/20 0.42
EPHX1 P07099 1/20 0.41
TRPA1 O75762 1/20 0.40
NAAA Q02083 1/20 0.39
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
PSMB5 P28074 1/20 0.37
CACNA1H O95180 1/20 0.36
CACNA1G O43497 1/20 0.36
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
GLA P06280 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
USP2 O75604 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14654978 0.92 SMN1; SMN2 (0.56) SMN1; SMN2HSD17B10KMT2APOLBHTT
SCHEMBL15199111 0.92 SMN1; SMN2 (0.56) SMN1; SMN2HSD17B10KMT2APOLBHTT
SCHEMBL15199524 0.91 SMN1; SMN2 (0.71) SMN1; SMN2HSD17B10KMT2AEPHX1NAAA
SCHEMBL12984256 0.91 SMN1; SMN2 (0.78) SMN1; SMN2HSD17B10KMT2AEPHX1NAAA
SCHEMBL18177036 0.90 SMN1; SMN2 (0.55) SMN1; SMN2HSD17B10KMT2APOLBHTT
SCHEMBL13701828 0.90 SMN1; SMN2 (0.75) SMN1; SMN2HSD17B10KMT2AEPHX1NAAA
SCHEMBL6233457 0.86 SMN1; SMN2 (0.55) SMN1; SMN2HSD17B10KMT2APOLBGNAI3
SCHEMBL26704145 0.85 HSD17B10 (0.53) SMN1; SMN2HSD17B10POLBCACNA1GGNAI3
SCHEMBL22472644 0.84 SMN1; SMN2 (0.53) SMN1; SMN2HSD17B10KMT2APOLBHTT
SCHEMBL19703677 0.84 HSD17B10 (0.49) SMN1; SMN2HSD17B10KMT2APOLBHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 US disclosed
EP-3600287-B1 INHIBITORS OF KINASE NETWORKS AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2023-07-05 EP disclosed
US-20210371420-A1 INHIBITORS OF KINASE NETWORKS AND USES THEREOF PURDUE RESEARCH FOUNDATION 2021-12-02 US disclosed
US-20210309652-A1 ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION 2021-10-07 US disclosed
US-11040973-B2 Inhibitors of kinase networks and uses thereof PURDUE RESEARCH FOUNDATION 2021-06-22 US disclosed
US-20200308173-A1 INHIBITORS OF KINASE NETWORKS AND USES THEREOF PURDUE RESEARCH FOUNDATION 2020-10-01 US disclosed
US-20190077803-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2019-03-14 US disclosed
US-20190071407-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES SYNGENTA CROP PROTECTION LLC (US) 2019-03-07 US disclosed
US-10030029-B2 Imidazole derivative used as antiviral agent and use thereof in preparation of medicament SHANDONG DANHONG PHARMACEUTICAL CO., LTD. (CN) 2018-07-24 US disclosed
US-10017507-B2 Diaza-benzofluoranthrene compounds HARBIN PHARMACEUTICAL GROUP CO., LTD. GENERAL PHARMACEUTICAL FACTORY (CN) 2018-07-10 US disclosed
US-8703759-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-04-22 US disclosed
US-20130217666-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR GENENTECH, INC. (US) 2013-08-22 US disclosed
WO-2013067267-A1 ROD -LIKE HEPATITIS C VIRUS INHIBITORS CONTAINING THE FRAGEMENT {2- [4- (BI PHENYL - 4 - YL) - 1H - IMIDAZO - 2 - YL] PYRROLIDINE - 1 - CARBONLYMETHYL} AMINE THERAVANCE, INC. (US) 2013-05-10 WO disclosed
US-20120316124-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-12-13 US disclosed
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators GILEAD SCIENCES, INC. 2012-01-12 US disclosed
US-7906556-B2 Methods of treating amyloidosis using cyclopropyl derivative aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2011-03-15 US disclosed
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2011-01-27 US disclosed
US-7858629-B2 Substituted imidazole 4-carboxamides as cholecystokinin-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-12-28 US disclosed
US-20090239862-A1 3-{(3S)-4-{[1-(3-ethoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]carbonyl}-3 -[(isopropylamino)carbonyl]-1-piperazinyl}-1-naphthoic acid, useful for the treatment, control, or prevention of obesity and diabetes MERCK SHARP & DOHME CORP. 2009-09-24 US disclosed
US-20070149569-A1 Methods of treating amyloidosis using cyclopropyl derivative aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2007-06-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090239862-A1 3-{(3S)-4-{[1-(3-ethoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]carbonyl}-3 -[(isopropylamino)carbonyl]-1-piperazinyl}-1-naphthoic acid, useful for the treatment, control, or prevention of obesity and diabetes CCKAR, CCKBR, GIPR SMN1; SMN2 3632/4885HSD17B10 2089/4885KMT2A 3747/4885
US-20200308173-A1 INHIBITORS OF KINASE NETWORKS AND USES THEREOF KDM1B, JMJD6, KDM1A SMN1; SMN2 2311/4885HSD17B10 2862/4885KMT2A 39/4885
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators KCNJ2, KCNH2, CACNA1E SMN1; SMN2 1093/4885HSD17B10 2247/4885KMT2A 3048/4885
US-20210309652-A1 ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS PRDX1, CYP4X1, RDX SMN1; SMN2 2688/4885HSD17B10 3219/4885KMT2A 1882/4885
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, PGM2 SMN1; SMN2 915/4885HSD17B10 669/4885KMT2A 2181/4885
US-20190071407-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES ACHE, CHRM1, ITPR3 SMN1; SMN2 1519/4885HSD17B10 3011/4885KMT2A 2695/4885
US-11040973-B2 Inhibitors of kinase networks and uses thereof KDM1B, JMJD6, KDM1A SMN1; SMN2 2311/4885HSD17B10 2862/4885KMT2A 39/4885
US-20210371420-A1 INHIBITORS OF KINASE NETWORKS AND USES THEREOF KDM1B, JMJD6, KDM1A SMN1; SMN2 2311/4885HSD17B10 2862/4885KMT2A 39/4885
US-20120316124-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES CHRM1, ACHE, P2RX7 SMN1; SMN2 1367/4885HSD17B10 3019/4885KMT2A 2629/4885
US-20130217666-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR NFKB1, NFKBIA, RELA SMN1; SMN2 3723/4885HSD17B10 1245/4885KMT2A 3437/4885
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 SMN1; SMN2 1673/4885HSD17B10 2866/4885KMT2A 3427/4885
US-20190077803-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A SMN1; SMN2 3203/4885HSD17B10 660/4885KMT2A 2833/4885
US-10017507-B2 Diaza-benzofluoranthrene compounds DDT, CYP3A43, CYP19A1 SMN1; SMN2 2387/4885HSD17B10 736/4885KMT2A 598/4885
US-20070149569-A1 Methods of treating amyloidosis using cyclopropyl derivative aspartyl protease inhibitors APP, DNPEP, PREP SMN1; SMN2 1276/4885HSD17B10 1326/4885KMT2A 3358/4885
US-10030029-B2 Imidazole derivative used as antiviral agent and use thereof in preparation of medicament MAVS, ZC3HAV1, SARS1 SMN1; SMN2 2646/4885HSD17B10 4588/4885KMT2A 2793/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.