SCHEMBL296250

SCHEMBL296250

[c]1ncccc1-n1cccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
G6PD P11413 1/20 0.38
MAPK1 P28482 3/20 0.38
NPC1 O15118 3/20 0.38
TDO2 P48775 1/20 0.33
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADORA2A P29274 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
RAB9A P51151 2/20 0.31

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
SCHEMBL17028448 0.74 NOTUM (0.41) NOTUM
SCHEMBL1671863 0.72
SCHEMBL296899 0.72 MAPK1 (0.42) NOTUMALDH1A1KDM4ELMNAMAPT
SCHEMBL28604730 0.72 NOTUM (0.38) NOTUMALDH1A1KDM4ELMNAMAPT
SCHEMBL17007391 0.69 MAPK1 (0.40) NOTUMALDH1A1KDM4ELMNAMAPT
SCHEMBL2644667 0.68 ALDH1A1 (0.42) NOTUMALDH1A1KDM4ELMNAMAPT
SCHEMBL296495 0.68 CYP3A4 (0.48) NOTUMALDH1A1LMNAMAPTKMT2A
SCHEMBL3432719 0.67 NOTUM (0.40) NOTUMALDH1A1KDM4ELMNAMAPT
SCHEMBL791782 0.67
SCHEMBL5543461 0.67 NOTUM (0.40) NOTUMALDH1A1KDM4ELMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107898-B1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2021-01-06 EP claimed
US-10689373-B2 1,2-substituted cyclopentanes as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-23 US claimed
US-20190284200-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-09-19 US claimed
EP-3464292-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2019-04-10 EP claimed
US-20180282309-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-04 US claimed
US-10011588-B2 1,2-substituted cyclopentanes as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-03 US claimed
WO-2017214002-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2017-12-14 WO claimed
US-20170066744-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-09 US claimed
EP-2947082-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS Pfizer Inc (US) 2015-11-25 EP claimed
US-9156829-B2 Cycloalkyl and heterocycloalkyl compounds as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-13 US claimed
US-8288405-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2012-10-16 US claimed
US-20120225900-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-09-06 US claimed
EP-2438064-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES Novartis AG (CH) 2012-04-11 EP claimed
US-8003798-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors NYCOMED GMBH (DE) 2011-08-23 US claimed
US-20110111046-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER INC 2011-05-12 US claimed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 US claimed
WO-2010139731-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2010-12-09 WO claimed
US-20080167301-A1 Respiratory system disorders ALTANA PHARMA AG (DE) 2008-07-10 US claimed
EP-1723135-A1 NOVEL HYDROXY-6-HEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS Altana Pharma AG (DE) 2006-11-22 EP claimed
WO-2005085225-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2005-09-15 WO claimed

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

For each of this compound's patents that has machine-readable text (9 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-20180282309-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R NOTUM 4479/4885ALDH1A1 570/4885KDM4E 1117/4885
US-20110111046-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB NOTUM 726/4885ALDH1A1 164/4885KDM4E 1385/4885
US-20080167301-A1 Respiratory system disorders PDE4A, PDE4B, PDE12 NOTUM 2077/4885ALDH1A1 300/4885KDM4E 1552/4885
US-20190284200-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 NOTUM 3219/4885ALDH1A1 333/4885KDM4E 4669/4885
US-10011588-B2 1,2-substituted cyclopentanes as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R NOTUM 4545/4885ALDH1A1 552/4885KDM4E 1154/4885
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 NOTUM 3094/4885ALDH1A1 2405/4885KDM4E 1280/4885
US-20120225900-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS ACACA, PC, ACACB NOTUM 667/4885ALDH1A1 259/4885KDM4E 1533/4885
US-20170066744-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R NOTUM 4545/4885ALDH1A1 552/4885KDM4E 1154/4885
US-10689373-B2 1,2-substituted cyclopentanes as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R NOTUM 4479/4885ALDH1A1 570/4885KDM4E 1117/4885

“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.