SCHEMBL12617166

SCHEMBL12617166

COC(=O)[C@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 4/20 0.53
F10 P00742 6/20 0.51
PRSS1 P07477 4/20 0.51
S1PR1 P21453 3/20 0.49
PRKX P51817 1/20 0.49
ACVR1 Q04771 1/20 0.49
FAAH O00519 1/20 0.48

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
SCHEMBL1804308 0.90 F10 (0.53) F10PRSS1FAAH
SCHEMBL2598185 0.90 F10 (0.53) F10PRSS1FAAH
SCHEMBL1804309 0.90 F10 (0.53) F10PRSS1FAAH
SCHEMBL14351264 0.90 F10 (0.49) S1PR5F10PRSS1S1PR1FAAH
SCHEMBL4661703 0.85 RORC (0.57) F10PRSS1
SCHEMBL5110560 0.85 RORC (0.57) F10PRSS1
SCHEMBL7888069 0.85 RORC (0.57) F10PRSS1
SCHEMBL14498495 0.85 RORC (0.57) F10PRSS1
SCHEMBL4661705 0.85 RORC (0.57) F10PRSS1
SCHEMBL23417389 0.85 F10 (0.54) F10PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951793-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-31 US disclosed
US-20070287713-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 US disclosed
US-7279485-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2007-10-09 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 (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-20070287713-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD PYM1, GPR119, GLP1R S1PR5 2008/4885F10 728/4885PRSS1 2278/4885

“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.