SCHEMBL2996950

SCHEMBL2996950

COc1ccc(C2C(C(=O)OCc3ccccc3)=C(C)Nc3[nH]ncc32)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 4/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 1/20 0.42
BLM P54132 1/20 0.42
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL3237974 0.96 TSHR (0.44) PDE1CTSHRHSD17B10
SCHEMBL3006899 0.86 PDE1C (0.44) PDE1CADORA3
SCHEMBL3002847 0.83 PDE1C (0.54) PDE1CGAAADORA3
SCHEMBL3242915 0.82 PDE1C (0.48) PDE1CADORA3
SCHEMBL3241017 0.79 PDE1C (0.59) PDE1CTSHRGAA
SCHEMBL3009592 0.79 KDM4E (0.46) TSHRHSD17B10GAAADORA3
SCHEMBL4260613 0.78 ADORA2B (0.57) PDE1CADORA3
SCHEMBL3000827 0.77 PDE1C (0.45) PDE1CADORA3
SCHEMBL4265478 0.76 KDM4E (0.52) TSHRHSD17B10GAABLMADORA3
SCHEMBL2999733 0.76 KDM4E (0.45) TSHRHSD17B10GAABLMADORA3

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-9045428-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2015-06-02 US disclosed
US-8716319-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-05-06 US disclosed
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-12-05 US disclosed
US-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-08-05 US disclosed
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. 2009-07-16 US disclosed
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2009-01-08 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 (4 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-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R PDE1C 2952/4885TSHR 1570/4885HSD17B10 537/4885
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R PDE1C 2952/4885TSHR 1570/4885HSD17B10 537/4885
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R PDE1C 2952/4885TSHR 1570/4885HSD17B10 537/4885
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R PDE1C 2952/4885TSHR 1570/4885HSD17B10 537/4885

“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.