SCHEMBL12839

SCHEMBL12839

CC1CCN(c2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.55
USP2 O75604 2/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TSHR P16473 2/20 0.48
PKM P14618 1/20 0.48
MBTD1 Q05BQ5 1/20 0.48
L3MBTL3 Q96JM7 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DPP4 P27487 2/20 0.47
GAA P10253 1/20 0.47
PDK2 Q15119 1/20 0.47
ACHE P22303 1/20 0.44
CHRNA7 P36544 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
CHRNB2 P17787 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
CHRNA3 P32297 1/20 0.44

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
SCHEMBL12449705 1.00 NOTUM (0.55) NOTUMUSP2MEN1KMT2ATSHR
SCHEMBL12449707 1.00 NOTUM (0.55) NOTUMUSP2MEN1KMT2ATSHR
SCHEMBL27439451 0.89 USP2 (0.47) NOTUMUSP2MEN1KMT2ATSHR
SCHEMBL12919 0.88 MAPT (0.52) NOTUMMEN1KMT2AMBTD1L3MBTL3
SCHEMBL13056 0.88 MAPT (0.52) NOTUMMEN1KMT2AMBTD1L3MBTL3
SCHEMBL10662242 0.88 MAPT (0.52) NOTUMMEN1KMT2AMBTD1L3MBTL3
Nitrogen SCHEMBL11225878 0.88 NOTUM (0.45) NOTUMUSP2MEN1KMT2ATSHR
SCHEMBL761910 0.87 USP2 (0.61) NOTUMUSP2MEN1KMT2ATSHR
SCHEMBL19364530 0.86 L3MBTL1 (0.49) NOTUMMEN1KMT2AMBTD1L3MBTL3
Ammonia Solution, Strong SCHEMBL8126982 0.85 USP2 (0.59) NOTUMUSP2MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230069174-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-03-02 US disclosed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
US-20220153732-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2022-05-19 US disclosed
WO-2021115375-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF 四川海思科制药有限公司 2021-06-17 WO disclosed
EP-3193604-B1 SUBSTITUTED N-(PYRROLIDIN-3-YL)ISOXAZOLE-3-CARBOXAMIDE COMPOUNDS EPIZYME INC (US) 2021-06-16 EP disclosed
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-10-29 US disclosed
WO-2019070727-A2 NONVIRAL GENE TRANSFER TO THE SUPRACHOROIDAL SPACE THE JOHNS HOPKINS UNIVERSITY (US) 2019-04-11 WO disclosed
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-02-14 US disclosed
WO-2018026620-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-08 WO disclosed
US-20150284404-A1 NOVEL BENZYL SULFONAMIDE COMPOUNDS USEFUL AS MOGAT-2 INHIBITORS ELI LILLY AND COMPANY 2015-10-08 US disclosed
US-20150065505-A1 PYRIMIDINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-05 US disclosed
US-8338622-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-25 US disclosed
US-20110251187-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-13 US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO disclosed
US-7732473-B2 Compounds with nootropic action, their preparation, pharmaceutical compositions containing them, and use thereof NEUROTUNE AG (CH) 2010-06-08 US disclosed
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
US-20090163565-A1 Compounds with nootropic action, their preperation, pharmaceutical compositions containing them, and use thereof FARINA CARLO 2009-06-25 US disclosed
US-20080318941-A1 4' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-12-25 US disclosed
WO-2008010964-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK & CO., INC. (US) 2008-01-24 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 (12 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-20150284404-A1 NOVEL BENZYL SULFONAMIDE COMPOUNDS USEFUL AS MOGAT-2 INHIBITORS MOGAT2, SOAT1, SOAT2 NOTUM 892/4885USP2 2503/4885MEN1 1241/4885
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 NOTUM 4102/4885USP2 3288/4885MEN1 1644/4885
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS RNASEH1, RNASE1, RNASEL NOTUM 3240/4885USP2 2953/4885MEN1 3126/4885
US-20110251187-A1 HETEROCYCLIC COMPOUND NES, BMI1, DOT1L NOTUM 874/4885USP2 4322/4885MEN1 315/4885
US-20080318941-A1 4' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR1B, HTR3B NOTUM 4296/4885USP2 4547/4885MEN1 2068/4885
US-20220153732-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G NOTUM 1427/4885USP2 1151/4885MEN1 1347/4885
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 NOTUM 4102/4885USP2 3288/4885MEN1 1644/4885
US-20230069174-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF ENPP2, NMT2, NMT1 NOTUM 116/4885USP2 1371/4885MEN1 189/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 NOTUM 4156/4885USP2 3263/4885MEN1 1766/4885
US-20150065505-A1 PYRIMIDINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LPL, PNLIP NOTUM 65/4885USP2 1543/4885MEN1 4150/4885
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 NOTUM 4102/4885USP2 3288/4885MEN1 1644/4885
US-20090163565-A1 Compounds with nootropic action, their preperation, pharmaceutical compositions containing them, and use thereof OPRL1, GRIN3B, GRIN3A NOTUM 696/4885USP2 4122/4885MEN1 3590/4885

“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.