SCHEMBL4599724

SCHEMBL4599724

COc1ccc(-c2ccc(C#N)cc2F)cc1C=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 0.48
SCN10A Q9Y5Y9 1/20 0.43
KDM1A O60341 1/20 0.40
CTSA P10619 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
PRKDC P78527 1/20 0.37
AR P10275 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL4600063 0.86 AR (0.43) ERN1KDM1AALDH1A1MAPTAR
SCHEMBL4599847 0.85 SCN10A (0.38) ERN1SCN10A
SCHEMBL4599619 0.84 AR (0.44) ERN1KDM1AAR
SCHEMBL4600422 0.82 ERN1 (0.50) ERN1ALDH1A1MAPTKDM4ETSHR
SCHEMBL29950818 0.82 ALDH1A1 (0.50) ERN1KDM1AALDH1A1PRKDCAR
SCHEMBL5221782 0.82 ALDH1A1 (0.50) ERN1KDM1AALDH1A1PRKDCAR
SCHEMBL4599917 0.82 ALDH1A1 (0.42) ERN1KDM1AALDH1A1KDM4ETSHR
SCHEMBL14499368 0.81 PTGS2 (0.48) SCN10AKDM1ACTSAPRKDCAR
SCHEMBL5621128 0.79 ACLY (0.50) ERN1CTSAALDH1A1MAPTKDM4E
SCHEMBL4600119 0.77 ERN1 (0.54) ERN1ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910292-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
US-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
WO-2007015588-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 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 (1 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-20070149570-A1 Piperidine derivative and use thereof TACR1, OPRL1, TRPV1 ERN1 4124/4885SCN10A 629/4885KDM1A 2544/4885

“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.