SCHEMBL4646455

SCHEMBL4646455

CC(C)(C)c1ccc(N2CCCC2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.57
ALDH1A1 P00352 4/20 0.57
HPGD P15428 6/20 0.50
AKR1C3 P42330 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
MITF O75030 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
F10 P00742 1/20 0.47

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
SCHEMBL1691497 0.95 SMN1; SMN2 (0.54) TP53ALDH1A1HPGDAKR1C3SMN1; SMN2
SCHEMBL11142367 0.84 ALDH1A1 (0.74) TP53ALDH1A1HPGDAKR1C3SMN1; SMN2
SCHEMBL14618810 0.83 ALDH1A1 (0.51) TP53ALDH1A1HPGDAKR1C3SMN1; SMN2
SCHEMBL13498455 0.83 ALDH1A1 (0.51) TP53ALDH1A1HPGDAKR1C3SMN1; SMN2
SCHEMBL13973749 0.82 ALDH1A1 (0.54) TP53ALDH1A1HPGDAKR1C3SMN1; SMN2
SCHEMBL3824793 0.82 ALDH1A1 (0.57) TP53ALDH1A1HPGDAKR1C3SMN1; SMN2
SCHEMBL13547897 0.80 ALDH1A1 (0.57) TP53ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL29930151 0.79 ALDH1A1 (0.62) TP53ALDH1A1HPGDAKR1C3SMN1; SMN2
SCHEMBL171739 0.79 ALDH1A1 (0.62) TP53ALDH1A1HPGDAKR1C3SMN1; SMN2
SCHEMBL1773906 0.79 TP53 (0.41) TP53ALDH1A1HPGDSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 US disclosed
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 US disclosed
US-20230054997-A1 COPPER COMPLEXES FOR TREATMENT OF NEURODEGENERATIVE DISORDERS ALS THERAPY DEVELOPMENT INSTITUTE, 2023-02-23 US disclosed
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 US disclosed
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2020-11-10 US disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20200231588-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2020-07-23 US disclosed
US-20200123165-A1 KINASE INHIBITORS INSILICO MEDICINE LTD. (CN) 2020-04-23 US disclosed
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2020-03-24 US disclosed
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-06-27 US disclosed
US-20070105852-A1 Thiophene and furan compounds ELI LILLY AND COMPANY 2007-05-10 US disclosed
EP-1753745-A2 PYRAZINYLMETHYL LACTAM DERIVATIVES Pfizer Products Inc. (US) 2007-02-21 EP disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
CN-1745049-A Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2006-03-08 CN disclosed
US-20050282816-A1 Pyrazinylmethyl lactam derivatives PFIZER INC 2005-12-22 US disclosed
WO-2005113535-A2 PYRAZINYLMETHYL LACTAM DERIVATIVES PFIZER PRODUCTS INC. (US) 2005-12-01 WO disclosed
EP-1581467-A2 LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-10-05 EP disclosed
US-20040171833-A1 Ligands for metals and improved metal-catalyzed processes based thereon NATIONAL SCIENCE FOUNDATION 2004-09-02 US disclosed
WO-2004052939-A2 LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-06-24 WO 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 (13 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-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK TP53 486/4885ALDH1A1 2583/4885HPGD 2962/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 TP53 1979/4885ALDH1A1 3939/4885HPGD 2424/4885
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 TP53 1214/4885ALDH1A1 684/4885HPGD 1580/4885
US-20050282816-A1 Pyrazinylmethyl lactam derivatives HTR1A, HTR1D, HTR1B TP53 4738/4885ALDH1A1 449/4885HPGD 1602/4885
US-20230054997-A1 COPPER COMPLEXES FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SOD1, SMN1; SMN2, CLN6 TP53 2417/4885ALDH1A1 1721/4885HPGD 2845/4885
US-20200231588-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 TP53 3009/4885ALDH1A1 636/4885HPGD 1280/4885
US-20040171833-A1 Ligands for metals and improved metal-catalyzed processes based thereon THEM6, SLC30A6, SOD1 TP53 1752/4885ALDH1A1 1766/4885HPGD 1487/4885
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors ABL1, DCK, ERBB2 TP53 436/4885ALDH1A1 1989/4885HPGD 2867/4885
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF F7, F11, HABP2 TP53 3186/4885ALDH1A1 1218/4885HPGD 458/4885
US-20070105852-A1 Thiophene and furan compounds PSEN2, PSEN1, TPMT TP53 147/4885ALDH1A1 1344/4885HPGD 2788/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK TP53 2073/4885ALDH1A1 4184/4885HPGD 4156/4885
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK TP53 486/4885ALDH1A1 2583/4885HPGD 2962/4885
US-20200123165-A1 KINASE INHIBITORS DDR1, DDR2, DDRGK1 TP53 1208/4885ALDH1A1 4080/4885HPGD 4411/4885

“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.