SCHEMBL2079577

SCHEMBL2079577

N#Cc1ccc(-c2nc3c[c]ccc3[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.57
DGAT1 O75907 1/20 0.51
SOAT1 P35610 1/20 0.51
KCNH2 Q12809 1/20 0.51
PKN1 Q16512 1/20 0.50
PKN2 Q16513 1/20 0.50
CHEK2 O96017 2/20 0.47
PARP1 P09874 1/20 0.45
IDO1 P14902 1/20 0.44
ATR Q13535 1/20 0.43
MAPK14 Q16539 3/20 0.43
MAPK13 O15264 2/20 0.43
MAPK12 P53778 2/20 0.43
MAPK11 Q15759 2/20 0.43
RAF1 P04049 1/20 0.43
ALOX5 P09917 2/20 0.42
GCGR P47871 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL695765 0.81 KDM4E (0.61) PKN1PKN2CHEK2MAPK14MAPK13
SCHEMBL9033788 0.81 NPC1 (0.53) RHEBCHEK2MAPK14MAPK13MAPK12
SCHEMBL694906 0.81 NPC1 (0.62) PKN1PKN2PARP1NPC1RAB9A
SCHEMBL16719495 0.80 ALDH1A1 (0.60) RHEBPKN1PKN2MAPK14MAPK13
SCHEMBL20982583 0.80 RHEB (0.70) RHEBDGAT1SOAT1KCNH2PKN1
SCHEMBL3337258 0.80 NPC1 (0.66) RHEBDGAT1SOAT1KCNH2PKN1
SCHEMBL484587 0.78 NPC1 (0.64) RHEBDGAT1SOAT1KCNH2PKN1
SCHEMBL704211 0.78 NPBWR1 (0.51) DGAT1SOAT1KCNH2CHEK2
SCHEMBL9032674 0.77 KDM4E (0.63) CHEK2PARP1NPC1RAB9AGAA
SCHEMBL23132141 0.76 PKN1 (0.61) RHEBDGAT1SOAT1KCNH2PKN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373191-B1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2013-06-05 EP claimed
EP-1370530-B1 ACYLATED 1,2,3,4-TETRAHYDRONAPHTHYL AMINES AND THEIR USE AS PHARMACEUTICAL SANOFI AVENTIS DEUTSCHLAND (DE) 2010-12-29 EP claimed
US-20100183712-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-07-22 US claimed
US-7713963-B2 Acylated indanyl amines and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-05-11 US claimed
US-7709478-B2 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-05-04 US claimed
EP-1362027-B1 ACYLATED 6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTENYL AMINES AND THEIR USE AS PHARMACEUTICAL SANOFI AVENTIS DEUTSCHLAND (DE) 2008-05-21 EP claimed
US-20070082897-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-04-12 US claimed
US-6949556-B2 Acylated 1,2,3,4-tetrahydronaphthyl amines and their use as pharmaceutical agents AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-09-27 US claimed
US-20040225013-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-11 US claimed
US-6759412-B2 FOR PRODUCING DRUGS USED FOR THERAPY OF CARDIOVASCULAR DISEASES, STABLE OR UNSTABLE ANGINA PECTORIS, CORONARY HEART DISEASE, PRINZMETAL ANGINA, ACUTE CORONARY SYNDROME, HEART FAILURE, MYOCARDIAL INFARCTION, STROKE, THROMBOSIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-06 US claimed
EP-1373191-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS Aventis Pharma Deutschland GmbH (DE) 2004-01-02 EP claimed
US-20030055093-A1 Acylated indanyl amines and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-03-20 US claimed
US-20030022935-A1 Acylated 1,2,3,4-tetrahydronaphthyl amines and their use as pharmaceutical agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-01-30 US claimed
US-20030008915-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-01-09 US claimed
WO-2002064545-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 WO claimed
EP-2198861-B1 eNOS transcription enhancers for use in the cell therapy of limb ischemia SANOFI AVENTIS DEUTSCHLAND (DE) 2014-06-25 EP disclosed
EP-1373191-B1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2013-06-05 EP disclosed
US-20030008915-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-01-09 US disclosed
WO-2002064545-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 WO disclosed
WO-2002064546-A2 ACYLATED 6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTENYL AMINES AND THEIR USE AS PHARMACEUTICAL AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 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 (6 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-20030022935-A1 Acylated 1,2,3,4-tetrahydronaphthyl amines and their use as pharmaceutical agents VEGFA, EDNRA, NR1H2 RHEB 2277/4885DGAT1 269/4885SOAT1 171/4885
US-20030008915-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents VEGFA, NR1H2, EDNRA RHEB 2247/4885DGAT1 555/4885SOAT1 229/4885
US-20040225013-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents VEGFA, NR1H2, EDNRA RHEB 2247/4885DGAT1 555/4885SOAT1 229/4885
US-20100183712-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS EDNRA, EDNRB, VEGFA RHEB 1363/4885DGAT1 1144/4885SOAT1 343/4885
US-20030055093-A1 Acylated indanyl amines and their use as pharmaceuticals EDNRA, VEGFA, EDNRB RHEB 1766/4885DGAT1 645/4885SOAT1 187/4885
US-20070082897-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS EDNRA, EDNRB, VEGFA RHEB 1382/4885DGAT1 1017/4885SOAT1 319/4885

“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.