SCHEMBL4032748

SCHEMBL4032748

Cc1ccc([C@H]2CCCN(C(=O)c3sc(-c4ccc(C(F)(F)F)cc4)nc3C)C2)cc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 3/20 0.49
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
CHRM4 P08173 1/20 0.43
FFAR1 O14842 2/20 0.40
PDE2A O00408 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
CNR1 P21554 1/20 0.39
GPR52 Q9Y2T5 2/20 0.39
FASN P49327 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR2C P28335 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL4029357 1.00 PROKR1 (0.49) PROKR1ALDH1A1NPC1GAACHRM4
SCHEMBL4028701 1.00 PROKR1 (0.49) PROKR1ALDH1A1NPC1GAACHRM4
SCHEMBL4031382 0.93 PROKR1 (0.49) PROKR1ALDH1A1NPC1GAACHRM4
SCHEMBL4033034 0.93 PROKR1 (0.49) PROKR1ALDH1A1NPC1GAACHRM4
SCHEMBL4030709 0.93 PROKR1 (0.49) PROKR1ALDH1A1NPC1GAACHRM4
SCHEMBL27635120 0.90 PROKR1 (0.48) PROKR1ALDH1A1NPC1GAACHRM4
SCHEMBL28754207 0.89 PROKR1 (0.49) PROKR1ALDH1A1NPC1GAACHRM4
SCHEMBL27616094 0.89 PROKR1 (0.49) PROKR1ALDH1A1NPC1GAACHRM4
SCHEMBL27616088 0.89 PROKR1 (0.49) PROKR1ALDH1A1NPC1GAACHRM4
SCHEMBL4031321 0.89 MEN1 (0.48) PROKR1ALDH1A1NPC1GAACHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567493-B1 PHENYL SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS PPAR ACTIVATORS PFIZER PROD INC (US) 2009-03-18 EP claimed
CN-100439337-C Phenyl substituted piperidine compounds for use as PPAR activators PFIZER PROD INC (US) 2008-12-03 CN claimed
US-20070191429-A1 PPAR ACTIVATORS PFIZER INC. (US) 2007-08-16 US claimed
US-7199243-B2 Piperidine compounds useful as PPAR activators PFIZER INC. (US) 2007-04-03 US claimed
CN-1717389-A Phenyl substituted piperidine compounds for use as PPAR activators PFIZER PROD INC (US) 2006-01-04 CN claimed
US-20040157885-A1 PPAR activators PFIZER INC 2004-08-12 US claimed
EP-1567493-B1 PHENYL SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS PPAR ACTIVATORS PFIZER PROD INC (US) 2009-03-18 EP disclosed
CN-100439337-C Phenyl substituted piperidine compounds for use as PPAR activators PFIZER PROD INC (US) 2008-12-03 CN disclosed
US-20070191429-A1 PPAR ACTIVATORS PFIZER INC. (US) 2007-08-16 US disclosed
US-7199243-B2 Piperidine compounds useful as PPAR activators PFIZER INC. (US) 2007-04-03 US disclosed
CN-1717389-A Phenyl substituted piperidine compounds for use as PPAR activators PFIZER PROD INC (US) 2006-01-04 CN disclosed
EP-1567493-A1 PHENYL SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS PPAR ACTIVATORS Pfizer Products Inc. (US) 2005-08-31 EP disclosed
US-20040157885-A1 PPAR activators PFIZER INC 2004-08-12 US disclosed
WO-2004048334-A1 PHENYL SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS PPAR ACTIVATORS PFIZER PRODUCTS INC. (US) 2004-06-10 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 (2 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-20070191429-A1 PPAR ACTIVATORS PPARA, PPARG, PPARD PROKR1 949/4885ALDH1A1 2006/4885NPC1 199/4885
US-20040157885-A1 PPAR activators PPARA, PPARG, PPARD PROKR1 949/4885ALDH1A1 2006/4885NPC1 199/4885

“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.