SCHEMBL2520710

SCHEMBL2520710

O=C(O)[C@@H]1C[C@H]1c1ccc(F)cn1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 17/20 0.53
CYP2C8 P10632 3/20 0.50
CYP2C9 P11712 2/20 0.45

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
SCHEMBL1666790 1.00 FFAR1 (0.53) FFAR1CYP2C8CYP2C9
SCHEMBL14871759 1.00 FFAR1 (0.53) FFAR1CYP2C8CYP2C9
SCHEMBL1666789 1.00 FFAR1 (0.53) FFAR1CYP2C8CYP2C9
Hydrochloric Acid SCHEMBL2517563 0.98 FFAR1 (0.52) FFAR1CYP2C8CYP2C9
Hydrochloric Acid SCHEMBL2517566 0.98 FFAR1 (0.52) FFAR1CYP2C8CYP2C9
SCHEMBL22101587 0.89 FFAR1 (0.44) FFAR1CYP2C8CYP2C9
SCHEMBL1666779 0.87 FFAR1 (0.42) FFAR1CYP2C8CYP2C9
SCHEMBL1666781 0.87 FFAR1 (0.42) FFAR1CYP2C8CYP2C9
SCHEMBL2521957 0.87 FFAR1 (0.42) FFAR1CYP2C8CYP2C9
SCHEMBL15397536 0.81 FFAR1 (0.42) FFAR1CYP2C8CYP2C9

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
EP-2486014-B1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 BRISTOL MYERS SQUIBB CO (US) 2013-07-31 EP disclosed
US-8426414-B2 Modulators of G protein-coupled receptor 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-23 US disclosed
CN-102648180-A Modulators of G-protein coupled receptor 88 BRISTOL MYERS SQUIBB CO 2012-08-22 CN disclosed
EP-2486014-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 Bristol-Myers Squibb Company (US) 2012-08-15 EP disclosed
US-20110251204-A1 Modulators of G Protein-Coupled Receptor 88 Bristol-Myers Squibb Company and Lexicon Pharmaceuticals, Inc. 2011-10-13 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-20110251204-A1 Modulators of G Protein-Coupled Receptor 88 GPR88, GPR68, GRK2 FFAR1 200/4885CYP2C8 3443/4885CYP2C9 4871/4885

“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.