SCHEMBL13714565

SCHEMBL13714565

CCc1nc2c(C)cc(-c3cn4c(n3)CCCC4)cc2n1Cc1ccc(-c2ccccc2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.47
AGTR2 P50052 5/20 0.47
PPARG P37231 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ABCC3 O15438 1/20 0.44
ABCC4 O15439 1/20 0.44
USP2 O75604 1/20 0.44
ABCB11 O95342 1/20 0.44
CHRM2 P08172 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
CYP2C9 P11712 1/20 0.44
ACE P12821 1/20 0.44
ADRA2C P18825 1/20 0.44
TBXA2R P21731 1/20 0.44
GLRA1 P23415 1/20 0.44
PDE4A P27815 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
SCHEMBL9091939 0.92 AGTR1 (0.45) AGTR1AGTR2PPARGALDH1A1KDM4E
SCHEMBL13937415 0.90 AGTR1 (0.52) AGTR1AGTR2PPARGALDH1A1KDM4E
Pomisartan SCHEMBL564508 0.90 AGTR1 (0.60) AGTR1AGTR2PPARGALDH1A1KDM4E
SCHEMBL7311530 0.90 PPARG (0.46) AGTR1AGTR2PPARGALDH1A1KDM4E
SCHEMBL9092788 0.89 AGTR1 (0.46) AGTR1AGTR2PPARGALDH1A1KDM4E
SCHEMBL9236071 0.89 AGTR1 (0.44) AGTR1AGTR2PPARGALDH1A1KDM4E
SCHEMBL7304823 0.88 AGTR1 (0.49) AGTR1AGTR2PPARGALDH1A1KDM4E
SCHEMBL7311125 0.87 AGTR1 (0.43) AGTR1AGTR2PPARGALDH1A1KDM4E
SCHEMBL9091885 0.85 AGTR1 (0.45) AGTR1AGTR2PPARGALDH1A1KDM4E
SCHEMBL7303109 0.84 PPARG (0.55) AGTR1AGTR2PPARGALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215838-A1 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2009-08-27 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 (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-20090215838-A1 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NOS2, NOS3, NOS1 AGTR1 5/4885AGTR2 4/4885PPARG 727/4885

“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.