SCHEMBL12708019

SCHEMBL12708019

CC(=O)CC1CCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 17/20 0.83
PPARG P37231 1/20 0.83
HPGD P15428 1/20 0.50
NR4A2 P43354 1/20 0.49
S1PR1 P21453 1/20 0.48
LTK P29376 1/20 0.48
TAOK1 Q7L7X3 1/20 0.48
S1PR5 Q9H228 1/20 0.48
MMP1 P03956 1/20 0.44
ADAM17 P78536 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
SCHEMBL1604202 0.91 FFAR1 (1.00) FFAR1PPARGHPGDNR4A2S1PR1
SCHEMBL1584485 0.91 FFAR1 (1.00) FFAR1PPARGHPGDNR4A2S1PR1
SCHEMBL12708067 0.84 FFAR1 (0.61) FFAR1PPARG
SCHEMBL12708026 0.83 FFAR1 (0.82) FFAR1PPARG
SCHEMBL12708021 0.82 FFAR1 (0.57) FFAR1PPARGS1PR1S1PR5
SCHEMBL12708016 0.80 FFAR1 (0.84) FFAR1PPARGS1PR1S1PR5
SCHEMBL12708013 0.80 FFAR1 (0.58) FFAR1PPARG
SCHEMBL12708020 0.78 FFAR1 (0.65) FFAR1PPARG
SCHEMBL12708066 0.78 FFAR1 (0.64) FFAR1PPARG
SCHEMBL18878515 0.77 FFAR1 (0.53) FFAR1PPARGHPGDNR4A2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288404-B2 Pyrrolidine GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-16 US disclosed
US-20110082165-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-04-07 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-20110082165-A1 PYRROLIDINE GPR40 MODULATORS GPR55, GPR65, GPR27 FFAR1 37/4885PPARG 69/4885HPGD 743/4885

“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.