SCHEMBL3159903

SCHEMBL3159903

CC(C)(C=O)CCc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.44
KCNH2 Q12809 4/20 0.43
TMEM97 Q5BJF2 4/20 0.43
SIGMAR1 Q99720 4/20 0.43
TAAR1 Q96RJ0 3/20 0.42
S1PR1 P21453 1/20 0.41
GRM2 Q14416 1/20 0.41
GRM3 Q14832 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
HPGD P15428 1/20 0.38
MAOB P27338 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL4661245 0.80 CYP3A4 (0.46) TAAR1L3MBTL1HPGDLMNAKDM4E
SCHEMBL27870822 0.80 MEN1 (0.42) AOC3SIGMAR1TAAR1GRM2GRM3
SCHEMBL3164547 0.78 TAAR1 (0.48) AOC3SIGMAR1TAAR1MAOB
SCHEMBL2421674 0.78 KCNH2 (0.40) KCNH2SIGMAR1HPGDLMNA
SCHEMBL1754092 0.77 TAAR1 (0.50) AOC3KCNH2TMEM97SIGMAR1TAAR1
SCHEMBL7210260 0.74 TAAR1 (0.52) AOC3KCNH2TMEM97SIGMAR1TAAR1
SCHEMBL7210259 0.74 TAAR1 (0.47) AOC3KCNH2TMEM97SIGMAR1TAAR1
SCHEMBL11540157 0.74 TAAR1 (0.47) AOC3KCNH2TMEM97SIGMAR1TAAR1
SCHEMBL19574973 0.72 TAAR1 (0.45) AOC3KCNH2TMEM97SIGMAR1TAAR1
SCHEMBL24440172 0.72 GRM2 (0.50) KCNH2TMEM97SIGMAR1TAAR1S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1862457-B1 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORP (US) 2010-01-20 EP disclosed
EP-1862457-A2 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SmithKline Beecham Corporation (US) 2007-12-05 EP disclosed
EP-1406873-B1 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-09-26 EP disclosed
US-7132443-B2 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINEBEECHAM CORPORATION (US) 2006-11-07 US disclosed
US-20040171848-A1 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORPORATION 2004-09-02 US disclosed
EP-1406873-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-14 EP disclosed
WO-2003002531-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-09 WO 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-20040171848-A1 Fluoropyrrolidines as dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 AOC3 3366/4885KCNH2 2981/4885TMEM97 3813/4885

“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.