SCHEMBL3801840

SCHEMBL3801840

O=C(NC1CCCc2ccccc2C1)c1ccc(N2CCOCC2)nc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.61
USP30 Q70CQ3 5/20 0.61
HPGDS O60760 4/20 0.60
ADRA1A P35348 1/20 0.53
DRD2 P14416 3/20 0.49
HTR2A P28223 3/20 0.49
DRD3 P35462 3/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL3796001 0.92 HPGDS (0.59) PRMT5USP30HPGDSALDH1A1HPGD
SCHEMBL3797249 0.92 HPGDS (0.59) PRMT5USP30HPGDSALDH1A1HPGD
SCHEMBL3794527 0.85 PRMT5 (0.61) PRMT5USP30HPGDSHTR2ADRD3
SCHEMBL3797917 0.81 RIPK2 (0.46) PRMT5USP30ALDH1A1POLBHPGD
SCHEMBL3802513 0.80 KMO (0.53) PRMT5USP30ALDH1A1POLB
SCHEMBL2456362 0.80 USP30 (0.60) PRMT5USP30HPGDSDRD2HTR2A
SCHEMBL23095866 0.79 PRMT5 (0.73) PRMT5USP30HPGDSADRA1AALDH1A1
SCHEMBL3796879 0.79 ALDH1A1 (0.68) ALDH1A1HPGD
SCHEMBL7786671 0.79 USP30 (0.58) USP30DRD2HTR2ADRD3ALDH1A1
SCHEMBL3795877 0.79 MTNR1A (0.51) ALDH1A1HPGD

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 PRMT5 235/4885USP30 4179/4885HPGDS 640/4885
US-20040225013-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents VEGFA, NR1H2, EDNRA PRMT5 235/4885USP30 4179/4885HPGDS 640/4885

“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.