SCHEMBL4027412

SCHEMBL4027412

Cc1ccc(C2CCCN(C(=O)c3sc(-c4ccc(C(F)(F)F)cc4)nc3C)C2)cc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 3/20 0.46
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.43
KDM1A O60341 3/20 0.41
CHRM4 P08173 1/20 0.41
PDE2A O00408 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
CNR1 P21554 1/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
HTR2C P28335 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
SCHEMBL4027408 1.00 PROKR1 (0.46) PROKR1ALDH1A1GAANPC1KDM1A
SCHEMBL28754207 0.88 PROKR1 (0.49) PROKR1ALDH1A1GAANPC1CHRM4
SCHEMBL27616094 0.88 PROKR1 (0.49) PROKR1ALDH1A1GAANPC1CHRM4
SCHEMBL27616088 0.88 PROKR1 (0.49) PROKR1ALDH1A1GAANPC1CHRM4
SCHEMBL27635120 0.88 PROKR1 (0.48) PROKR1ALDH1A1GAANPC1CHRM4
SCHEMBL4030709 0.87 PROKR1 (0.49) PROKR1ALDH1A1GAANPC1CHRM4
SCHEMBL4033034 0.87 PROKR1 (0.49) PROKR1ALDH1A1GAANPC1CHRM4
SCHEMBL4031382 0.87 PROKR1 (0.49) PROKR1ALDH1A1GAANPC1CHRM4
SCHEMBL27727437 0.87 PROKR1 (0.49) PROKR1ALDH1A1GAANPC1CHRM4
SCHEMBL4028701 0.86 PROKR1 (0.49) PROKR1ALDH1A1GAANPC1CHRM4

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 6 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
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
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 2006/4885GAA 1673/4885
US-20040157885-A1 PPAR activators PPARA, PPARG, PPARD PROKR1 949/4885ALDH1A1 2006/4885GAA 1673/4885

“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.