SCHEMBL3796001

SCHEMBL3796001

O=C(NC1CCCc2ccccc2C1)c1ccc(N2CCCC2)nc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.59
PRMT5 O14744 2/20 0.50
USP30 Q70CQ3 6/20 0.49
KMT2A Q03164 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
GRM5 P41594 2/20 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
SCHEMBL3797249 1.00 HPGDS (0.59) HPGDSPRMT5USP30KMT2AHRH3
SCHEMBL3801840 0.92 PRMT5 (0.61) HPGDSPRMT5USP30ALDH1A1HPGD
SCHEMBL3798283 0.84 PRMT5 (0.61) PRMT5USP30KMT2AALDH1A1
SCHEMBL3795877 0.82 MTNR1A (0.51) KMT2AALDH1A1HPGDNPC1MAPT
SCHEMBL3796879 0.82 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2HPGDNPC1MAPT
SCHEMBL3793522 0.81 GRM5 (0.57) KMT2AALDH1A1HPGDLMNATSHR
SCHEMBL3793624 0.80 GRM5 (0.56) USP30ALDH1A1NPC1LMNATSHR
SCHEMBL3804022 0.80 POLB (0.47) ALDH1A1TSHR
SCHEMBL3797551 0.79 ALDH1A1 (0.49) HPGDSALDH1A1HPGDTSHRGRM5
SCHEMBL3796921 0.79 HPGDS (0.54) HPGDSUSP30ALDH1A1HPGDTSHR

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-1362027-A2 ACYLATED 6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTENYL AMINES AND THEIR USE AS PHARMACEUTICAL Aventis Pharma Deutschland GmbH (DE) 2003-11-19 EP 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-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 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 disclosed
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 disclosed
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 disclosed
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 disclosed
EP-1362027-A2 ACYLATED 6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTENYL AMINES AND THEIR USE AS PHARMACEUTICAL Aventis Pharma Deutschland GmbH (DE) 2003-11-19 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-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 (2 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-20030008915-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents VEGFA, NR1H2, EDNRA HPGDS 640/4885PRMT5 235/4885USP30 4179/4885
US-20040225013-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents VEGFA, NR1H2, EDNRA HPGDS 640/4885PRMT5 235/4885USP30 4179/4885

“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.