SCHEMBL4773392

SCHEMBL4773392

CCC(=O)N1Cc2ccccc2C1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.61
NAMPT P43490 7/20 0.55
BLM P54132 1/20 0.53
DPP8 Q6V1X1 2/20 0.51
DPP9 Q86TI2 2/20 0.51
DPP7 Q9UHL4 2/20 0.51
KDM4E B2RXH2 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
DPP4 P27487 1/20 0.51
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
LMNA P02545 1/20 0.49
RIPK1 Q13546 1/20 0.47
OPRM1 P35372 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NLRP3 Q96P20 1/20 0.46

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
SCHEMBL303340 0.87 NOTUM (0.67) NOTUMDPP8DPP7KDM4EHTT
SCHEMBL13487186 0.87 NOTUM (0.67) NOTUMDPP8DPP7KDM4EHTT
SCHEMBL24925843 0.84 RIPK1 (0.65) NOTUMNAMPTDPP8DPP7KDM4E
SCHEMBL21765690 0.83 BLM (0.43) NOTUMNAMPTBLMDPP8DPP9
SCHEMBL29367172 0.81 HDAC3 (0.63) NOTUMNAMPTSMN1; SMN2DPP4LMNA
SCHEMBL16715427 0.80 BLM (0.59) NOTUMNAMPTBLMDPP8DPP7
SCHEMBL3478866 0.79 DPP8 (0.60) NOTUMNAMPTBLMDPP8DPP9
SCHEMBL13018584 0.79 DPP8 (0.60) NAMPTDPP8DPP9
SCHEMBL16714306 0.79 NOTUM (0.55) NOTUMNAMPTDPP8DPP9HSP90AA1
SCHEMBL25143330 0.79 NOTUM (0.55) NOTUMNAMPTDPP8DPP9DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 EP claimed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 WO claimed
US-11827629-B2 CDGSH iron sulfur domain 2 activators and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2023-11-28 US disclosed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
US-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2023-05-04 US disclosed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
US-10906888-B2 Pyrimidine carboxamides as inhibitors of Vanin-1 enzyme PFIZER INC. (US) 2021-02-02 US disclosed
US-20190315715-A1 NOVEL PYRIMIDINE CARBOXAMIDES AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2019-10-17 US disclosed
US-RE47493-E1 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-07-09 US disclosed
US-10329304-B2 Compounds and methods for inhibition of hedgehog signaling and phosphodiesterase VANDERBILT UNIVERSITY (US) 2019-06-25 US disclosed
EP-2772480-A1 HIV REPLICATION INHIBITOR Shionogi & Co., Ltd. (JP) 2014-09-03 EP disclosed
US-20120252807-A1 ARBOVIRUS INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-04 US disclosed
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 EP disclosed
US-7446195-B2 High affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION (US) 2008-11-04 US disclosed
US-20080070924-A1 Novel Formulations For Opioid-Based Treatments Of Pain Comprising 1-(1,2-Disubstituted Piperidinyl)-4-Substituted Piperazine Derivatives JANSSENS FRANS EDUARD 2008-03-20 US disclosed
US-20080070924-A1 Novel Formulations For Opioid-Based Treatments Of Pain Comprising 1-(1,2-Disubstituted Piperidinyl)-4-Substituted Piperazine Derivatives JANSSENS FRANS EDUARD 2008-03-20 US disclosed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 WO disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 US disclosed
US-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels IONIX PHARMACEUTICALS LIMITED (GB) 2007-02-22 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 (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-10329304-B2 Compounds and methods for inhibition of hedgehog signaling and phosphodiesterase PDE4A, PDE4B, PDE7A NOTUM 603/4885NAMPT 1896/4885BLM 1557/4885
US-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 IDUA, MAN2B1, GBA1 NOTUM 1428/4885NAMPT 2599/4885BLM 1238/4885
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 NOTUM 4102/4885NAMPT 3065/4885BLM 4649/4885
US-20190315715-A1 NOVEL PYRIMIDINE CARBOXAMIDES AS INHIBITORS OF VANIN-1 ENZYME VNN1, DPYD, MVD NOTUM 139/4885NAMPT 69/4885BLM 4467/4885
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS TRPV4, TRPV1, TRPV2 NOTUM 4802/4885NAMPT 945/4885BLM 4713/4885
US-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels SCN1B, SCN1A, SCN10A NOTUM 3072/4885NAMPT 685/4885BLM 4528/4885
US-10906888-B2 Pyrimidine carboxamides as inhibitors of Vanin-1 enzyme VNN1, DPYD, MVD NOTUM 128/4885NAMPT 104/4885BLM 4279/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 NOTUM 4156/4885NAMPT 3182/4885BLM 4648/4885
US-11827629-B2 CDGSH iron sulfur domain 2 activators and use thereof CISD2, CISD1, FECH NOTUM 3672/4885NAMPT 2850/4885BLM 1613/4885
US-20120252807-A1 ARBOVIRUS INHIBITORS AND USES THEREOF ACE, ACE2, MME NOTUM 534/4885NAMPT 108/4885BLM 3671/4885
US-20080070924-A1 Novel Formulations For Opioid-Based Treatments Of Pain Comprising 1-(1,2-Disubstituted Piperidinyl)-4-Substituted Piperazine Derivatives OPRL1, OPRK1, OPRM1 NOTUM 3815/4885NAMPT 1702/4885BLM 4836/4885
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands CDKL2, CDK2, CDKL1 NOTUM 3365/4885NAMPT 1107/4885BLM 2572/4885

“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.