SCHEMBL4032229

SCHEMBL4032229

CCOC(=O)CNc1cc(C2CCCN(C(=O)c3sc(-c4ccc(C(F)(F)F)cc4)nc3C)C2)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 2/20 0.43
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41
CRHBP P24387 1/20 0.41
KMT2A Q03164 1/20 0.41
CRHR2 Q13324 1/20 0.41
CHRM4 P08173 1/20 0.41
FFAR1 O14842 7/20 0.38
HRH3 Q9Y5N1 1/20 0.37
PDE2A O00408 1/20 0.37
PPARA Q07869 2/20 0.37
NR1H4 Q96RI1 1/20 0.37
PPARD Q03181 2/20 0.37
PPARG P37231 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
SCHEMBL4035863 0.91 PROKR1 (0.46) PROKR1GAANPC1ALDH1A1CHRM4
SCHEMBL4033642 0.86 PROKR1 (0.44) PROKR1GAANPC1ALDH1A1KDM4E
SCHEMBL4031321 0.86 MEN1 (0.48) PROKR1GAANPC1ALDH1A1KDM4E
SCHEMBL4031325 0.86 MEN1 (0.48) PROKR1GAANPC1ALDH1A1KDM4E
SCHEMBL5500683 0.84 PROKR1 (0.44) PROKR1GAANPC1ALDH1A1CHRM4
SCHEMBL4027265 0.84 PPARA (0.47) PROKR1GAANPC1ALDH1A1MEN1
SCHEMBL28754207 0.83 PROKR1 (0.49) PROKR1GAANPC1ALDH1A1KDM4E
SCHEMBL27616088 0.83 PROKR1 (0.49) PROKR1GAANPC1ALDH1A1KDM4E
SCHEMBL27616094 0.83 PROKR1 (0.49) PROKR1GAANPC1ALDH1A1KDM4E
SCHEMBL4036323 0.83 PROKR1 (0.42) PROKR1GAANPC1ALDH1A1KDM4E

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 8 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 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 949/4885GAA 1673/4885NPC1 199/4885
US-20040157885-A1 PPAR activators PPARA, PPARG, PPARD PROKR1 949/4885GAA 1673/4885NPC1 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.