SCHEMBL3797548

SCHEMBL3797548

COc1ccc(C(=O)N[C@H]2CCCc3ccccc3C2)cn1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
SLC18A3 Q16572 1/20 0.48
GRM5 P41594 3/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
GPR183 P32249 1/20 0.46
HPGDS O60760 1/20 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
SCHEMBL3797551 1.00 ALDH1A1 (0.49) ALDH1A1HPGDTSHRSLC18A3GRM5
SCHEMBL2456130 0.87 GRM5 (0.46) ALDH1A1HPGDTSHRGRM5MTNR1A
SCHEMBL3795877 0.85 MTNR1A (0.51) ALDH1A1HPGDTSHRSLC18A3GRM5
SCHEMBL3802170 0.84 ALDH1A1 (0.47) ALDH1A1HPGDTSHRGRM5MTNR1A
SCHEMBL3802173 0.84 ALDH1A1 (0.47) ALDH1A1HPGDTSHRGRM5MTNR1A
SCHEMBL3796879 0.83 ALDH1A1 (0.68) ALDH1A1HPGDGRM5MTNR1AMTNR1B
SCHEMBL3796921 0.82 HPGDS (0.54) ALDH1A1HPGDTSHRGRM5MTNR1A
SCHEMBL3796922 0.82 HPGDS (0.54) ALDH1A1HPGDTSHRGRM5MTNR1A
SCHEMBL3793522 0.82 GRM5 (0.57) ALDH1A1HPGDTSHRGRM5MTNR1A
SCHEMBL3793624 0.81 GRM5 (0.56) ALDH1A1TSHRGRM5MTNR1AMTNR1B

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 5 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
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

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 ALDH1A1 343/4885HPGD 929/4885TSHR 871/4885
US-20040225013-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents VEGFA, NR1H2, EDNRA ALDH1A1 343/4885HPGD 929/4885TSHR 871/4885

“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.