SCHEMBL3796879

SCHEMBL3796879

O=C(NC1CCCc2ccccc2C1)c1ccc(Cl)nc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.68
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 1/20 0.51
GRM5 P41594 8/20 0.49
MTNR1A P48039 2/20 0.48
MTNR1B P49286 2/20 0.48
HPGD P15428 1/20 0.46
NPC1 O15118 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL6515277 0.93 ALDH1A1 (0.61) ALDH1A1RAB9ASMN1; SMN2MAPTGRM5
SCHEMBL3423083 0.93 ALDH1A1 (0.61) ALDH1A1RAB9ASMN1; SMN2MAPTGRM5
SCHEMBL3795877 0.86 MTNR1A (0.51) ALDH1A1MAPTGRM5MTNR1AMTNR1B
SCHEMBL3793522 0.85 GRM5 (0.57) ALDH1A1GRM5MTNR1AMTNR1BHPGD
SCHEMBL3793624 0.84 GRM5 (0.56) ALDH1A1RAB9AGRM5MTNR1AMTNR1B
SCHEMBL3797551 0.83 ALDH1A1 (0.49) ALDH1A1GRM5MTNR1AMTNR1BHPGD
SCHEMBL3803983 0.83 ALDH1A1 (0.47) ALDH1A1GRM5MTNR1AMTNR1B
SCHEMBL3797548 0.83 ALDH1A1 (0.49) ALDH1A1GRM5MTNR1AMTNR1BHPGD
SCHEMBL3796921 0.83 HPGDS (0.54) ALDH1A1GRM5MTNR1AMTNR1BHPGD
SCHEMBL3796922 0.83 HPGDS (0.54) ALDH1A1GRM5MTNR1AMTNR1BHPGD

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 6 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
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 (1 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-20040225013-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents VEGFA, NR1H2, EDNRA ALDH1A1 343/4885RAB9A 1984/4885SMN1; SMN2 976/4885

“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.