SCHEMBL3802114

SCHEMBL3802114

CN1CCN(c2cc(C(=O)NC3CCCc4ccccc4C3)ccn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 5/20 0.55
PRMT5 O14744 2/20 0.53
HRH4 Q9H3N8 1/20 0.47
CTSS P25774 1/20 0.46
PRKD1 Q15139 1/20 0.44
PRKD2 Q9BZL6 1/20 0.44
DYRK1A Q13627 5/20 0.43
MAPK14 Q16539 1/20 0.43
ALDH1A1 P00352 2/20 0.42
WNT1 P04628 2/20 0.42
CLK2 P49760 2/20 0.42
CLK3 P49761 2/20 0.42
TSHR P16473 1/20 0.42
DRD2 P14416 1/20 0.42
DYRK3 O43781 1/20 0.42
CSNK1E P49674 1/20 0.42
CLK1 P49759 1/20 0.42
GSK3B P49841 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42

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
SCHEMBL3798283 0.93 PRMT5 (0.61) USP30PRMT5ALDH1A1
SCHEMBL3794527 0.89 PRMT5 (0.61) USP30PRMT5ALDH1A1
SCHEMBL3805082 0.82 CTSS (0.58) PRMT5CTSSMAPK14ALDH1A1TSHR
SCHEMBL3802520 0.80 CTSS (0.50) CTSSMAPK14ALDH1A1TSHR
SCHEMBL3800578 0.80 TAS1R3 (0.53) USP30ALDH1A1
SCHEMBL3800966 0.79 PRMT5 (0.51) USP30PRMT5ALDH1A1
SCHEMBL3796001 0.77 HPGDS (0.59) USP30PRMT5ALDH1A1TSHR
SCHEMBL3797249 0.77 HPGDS (0.59) USP30PRMT5ALDH1A1TSHR
SCHEMBL3798846 0.75 NPC1 (0.52) USP30CTSSALDH1A1
SCHEMBL3798848 0.75 NPC1 (0.52) USP30CTSSALDH1A1

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 7 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 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 USP30 4179/4885PRMT5 235/4885HRH4 46/4885
US-20040225013-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents VEGFA, NR1H2, EDNRA USP30 4179/4885PRMT5 235/4885HRH4 46/4885

“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.