SCHEMBL296860

SCHEMBL296860

CC(CCN1CCC(NS(C)(=O)=O)CC1)(C(=O)NCc1cccc(OC(F)(F)F)c1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.46
PRMT6 Q96LA8 2/20 0.46
DDR1 Q08345 3/20 0.41
TACR3 P29371 3/20 0.41
CCR2 P41597 1/20 0.40
CHRM4 P08173 3/20 0.39
TACR2 P21452 2/20 0.39
TACR1 P25103 2/20 0.39
GLS O94925 1/20 0.39
EPHX2 P34913 1/20 0.39
SCN9A Q15858 1/20 0.39
MAPK14 Q16539 1/20 0.38
PRKAA2 P54646 1/20 0.38
CHRM3 P20309 1/20 0.38
HCRTR2 O43614 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
SCHEMBL12943122 0.95 CARM1 (0.46) CARM1PRMT6DDR1CCR2CHRM4
SCHEMBL297559 0.93 TACR3 (0.42) CARM1PRMT6TACR3TACR2TACR1
SCHEMBL298155 0.92 DDR1 (0.43) DDR1TACR3CCR2TACR2TACR1
SCHEMBL3865223 0.88 MAPK14 (0.40) CARM1PRMT6TACR3TACR1GLS
SCHEMBL12942999 0.88 KMT2A (0.39) CARM1PRMT6TACR3
SCHEMBL296022 0.88 TACR3 (0.43) TACR3TACR2TACR1EPHX2
SCHEMBL12943000 0.87 DDR1 (0.42) DDR1TACR3CCR2TACR2TACR1
SCHEMBL296032 0.86 TACR3 (0.46) DDR1TACR3TACR2TACR1
SCHEMBL297799 0.86 TACR3 (0.49) DDR1TACR3TACR2TACR1EPHX2
SCHEMBL298428 0.85 TACR3 (0.45) TACR3TACR2TACR1

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
EP-2200982-B1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-03-14 EP disclosed
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS KNUST HENNER 2011-01-27 US disclosed
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS KNUST HENNER 2011-01-27 US disclosed
US-20090076081-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2009-03-19 US disclosed
US-20090076081-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2009-03-19 US 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-20090076081-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS DRD2, DRD3, OPRL1 CARM1 1969/4885PRMT6 3301/4885DDR1 1076/4885
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS DRD2, DRD3, OPRL1 CARM1 1969/4885PRMT6 3301/4885DDR1 1076/4885

“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.