SCHEMBL4149686

SCHEMBL4149686

CC(C)(C)OC(=O)NCC1(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)nn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3cc2F)CC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.32
ENPP2 Q13822 1/20 0.32
RORC P51449 3/20 0.32
MAPK1 P28482 1/20 0.32
KDM1A O60341 1/20 0.31
GNRHR P30968 1/20 0.31
HDAC2 Q92769 1/20 0.30

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
SCHEMBL4149688 1.00 SCN9A (0.32) SCN9AENPP2RORCMAPK1KDM1A
SCHEMBL5034288 0.87 ENPP2 (0.38) ENPP2MAPK1
SCHEMBL5027588 0.85 ENPP2 (0.33) ENPP2MAPK1
SCHEMBL5027587 0.85 ENPP2 (0.33) ENPP2MAPK1
SCHEMBL5034304 0.80 AAK1 (0.43) SCN9AMAPK1
SCHEMBL4150603 0.80 RXFP1 (0.35) SCN9AMAPK1
SCHEMBL4150612 0.80 RXFP1 (0.35) SCN9AMAPK1
SCHEMBL4145161 0.79 TRPV1 (0.36) MAPK1
SCHEMBL4145166 0.79 TRPV1 (0.36) MAPK1
SCHEMBL5032332 0.78 KDM4E (0.40) ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B SCN9A 2431/4885ENPP2 3657/4885RORC 97/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B SCN9A 2678/4885ENPP2 3605/4885RORC 94/4885

“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.