SCHEMBL732104

SCHEMBL732104

O=C(/C=C/c1ccc(Cl)cn1)OC(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 10/20 0.39
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
STAT1 P42224 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 5/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 3/20 0.34

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
SCHEMBL1970995 0.84 HTR2A (0.33) NFE2L2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1481979 0.82 KMT2A (0.35) KDM4ESMN1; SMN2ALDH1A1LMNAKMT2A
Trifluoroacetic Acid SCHEMBL732103 0.78 NFE2L2 (0.42) NFE2L2KDM4ENPC1STAT1RAB9A
Trifluoroacetic Acid SCHEMBL732105 0.78 NFE2L2 (0.42) NFE2L2KDM4ENPC1STAT1RAB9A
SCHEMBL3310811 0.77 NFE2L2 (0.47) NFE2L2KDM4ENPC1STAT1RAB9A
SCHEMBL27737451 0.77 TRPA1 (0.43) NFE2L2KDM4ENPC1STAT1RAB9A
SCHEMBL732497 0.77 TRPA1 (0.43) NFE2L2KDM4ENPC1STAT1RAB9A
SCHEMBL1321620 0.75 HDAC3 (0.60) NPC1RAB9AALDH1A1LMNAKMT2A
SCHEMBL753041 0.73 NFE2L2 (0.49) NFE2L2KDM4ENPC1STAT1RAB9A
SCHEMBL1124256 0.73 NFE2L2 (0.49) NFE2L2KDM4ENPC1STAT1RAB9A

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-1989196-B1 PIPERIDINOYLPYRROLIDINES AS MELANOCORTIN TYPE 4 RECEPTOR AGONISTS PFIZER LTD (GB) 2013-02-13 EP disclosed
US-8138188-B2 Melanocortin type 4 receptor agonist piperidinoylpyrrolidines PFIZER INC. (US) 2012-03-20 US disclosed
US-20090036459-A1 Melanocortin Type 4 Receptor Agonist Piperidinoylpyrrolidines PFIZER INC 2009-02-05 US disclosed
EP-1989196-A2 MELANOCORTIN TYPE 4 RECEPTOR AGONIST PIPERIDINOYLPYRROLIDINES Pfizer Limited (GB) 2008-11-12 EP disclosed
US-20080269233-A1 Piperidinoyl-Pyrrolidine and Piperidinoyl-Piperidine Compounds ANDREWS MARK DAVID 2008-10-30 US disclosed
EP-1912968-A1 PIPERIDINOYL-PYRROLIDINE AND PIPERIDINOYL-PIPERIDINE COMPOUNDS Pfizer Limited (GB) 2008-04-23 EP disclosed
WO-2007096763-A2 MELANOCORTIN TYPE 4 RECEPTOR AGONIST PIPERIDINOYLPYRROLIDINES PFIZER LIMITED (GB) 2007-08-30 WO disclosed
WO-2007015162-A1 PIPERIDINOYL-PYRROLIDINE AND PIPERIDINOYL-PIPERIDINE COMPOUNDS PFIZER LIMITED (GB) 2007-02-08 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-20090036459-A1 Melanocortin Type 4 Receptor Agonist Piperidinoylpyrrolidines MC4R, MC5R, MC3R NFE2L2 2931/4885KDM4E 1225/4885NPC1 2466/4885
US-20080269233-A1 Piperidinoyl-Pyrrolidine and Piperidinoyl-Piperidine Compounds GPR4, GPR119, PRLHR NFE2L2 4339/4885KDM4E 864/4885NPC1 1079/4885

“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.