SCHEMBL185803

SCHEMBL185803

[c]1ncccc1N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP2C9 P11712 2/20 0.38
CHKA P35790 1/20 0.38
MAPK1 P28482 3/20 0.35
TSHR P16473 3/20 0.35
GFER P55789 2/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HIF1A Q16665 1/20 0.35
KEAP1 Q14145 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL918905 0.98 CHKA (0.39) HPGDCYP1A2CYP2C19CYP2C9CHKA
SCHEMBL2067060 0.94 CHKA (0.34) HPGDCYP1A2CYP2C19CYP2C9CHKA
SCHEMBL3547725 0.81 AR (0.35) MAPTALDH1A1HSD17B10HIF1ACNR2
SCHEMBL526372 0.81 PLD1 (0.44) CYP1A2MAPK1TDP1KDM4EALDH1A1
SCHEMBL933508 0.81 HTR3A (0.42) CYP1A2KDM4EALDH1A1
SCHEMBL14931430 0.77 PDE10A (0.36) HPGDCYP2C19TSHRALDH1A1HSD17B10
SCHEMBL15415434 0.75 CYP2C19 (0.30) CYP2C19HIF1A
SCHEMBL14931280 0.74 VNN1 (0.35) HPGDCYP1A2CYP2C19CYP2C9MAPK1
SCHEMBL15416277 0.74 PLD1 (0.39) CYP1A2MAPK1TDP1KDM4EALDH1A1
SCHEMBL12468806 0.74 OGA (0.38) TSHRKMT2AMEN1

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 241 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-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
US-20170066744-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-09 US claimed
US-9156829-B2 Cycloalkyl and heterocycloalkyl compounds as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-13 US claimed
US-20150232460-A1 NOVEL COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-20 US claimed
JP-4748912-B2 2011-08-17 JP claimed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US claimed
EP-2134713-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2009-12-23 EP claimed
WO-2008082490-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 WO claimed
US-6914122-B2 Macrocyclic NS-3 serine protease inhibitors of hepatitis C virus comprising alkyl and aryl alanine P2 moieties SCHERING CORPORATION (US) 2005-07-05 US claimed
US-20050043351-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2005-02-24 US claimed
US-6646010-B2 Enzyme inhibitors such as N(3-benzyloxycarbonylamino-2-hydroxy -4-phenylbutyl)-N-isoamylamine, used for prophylaxis of viral diseases and infections; lymphadenopathy associated virus G. D. SEARLE & CO. 2003-11-11 US claimed
EP-1274724-A2 MACROCYCLIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS COMPRISING ALKYL AND ARYL ALANINE P2 MOIETIES SCHERING CORPORATION (US) 2003-01-15 EP claimed
US-20020016294-A1 Macrocyclic NS-3 serine protease inhibitors of hepatitis C virus comprising alkyl and aryl alanine P2 moieties SCHERING CORPORATION 2002-02-07 US claimed
WO-2001081325-A2 MACROCYCLIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS COMPRISING ALKYL AND ARYL ALANINE P2 MOIETIES SCHERING CORPORATION (US) 2001-11-01 WO claimed
US-11912721-B2 Fused pentacyclic imidazole derivatives UCB Biopharma SRL (BE) 2024-02-27 US disclosed
US-20040132748-A1 Novel adenne derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-08 US disclosed
EP-1386923-A1 NOVEL ADENINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 EP 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 (10 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 HPGD 2045/4885CYP1A2 532/4885CYP2C19 799/4885
US-20040132748-A1 Novel adenne derivatives IRF3, IFNAR1, STING1 HPGD 2158/4885CYP1A2 628/4885CYP2C19 3619/4885
US-20020016294-A1 Macrocyclic NS-3 serine protease inhibitors of hepatitis C virus comprising alkyl and aryl alanine P2 moieties PRSS3, HPN, DPP3 HPGD 2555/4885CYP1A2 2058/4885CYP2C19 1913/4885
US-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 HPGD 1510/4885CYP1A2 1283/4885CYP2C19 3070/4885
US-11912721-B2 Fused pentacyclic imidazole derivatives TNF, NFKBIA, TNFRSF1A HPGD 90/4885CYP1A2 664/4885CYP2C19 499/4885
US-10011588-B2 1,2-substituted cyclopentanes as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R HPGD 2153/4885CYP1A2 526/4885CYP2C19 871/4885
US-20050043351-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ARRB1, TRPV1, TRPV5 HPGD 2513/4885CYP1A2 828/4885CYP2C19 749/4885
US-20170066744-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R HPGD 2153/4885CYP1A2 526/4885CYP2C19 871/4885
US-10689373-B2 1,2-substituted cyclopentanes as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R HPGD 2045/4885CYP1A2 532/4885CYP2C19 799/4885
US-20150232460-A1 NOVEL COMPOUNDS CNKSR1, RDX, RB1 HPGD 3982/4885CYP1A2 676/4885CYP2C19 1092/4885

“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.