SCHEMBL296183

SCHEMBL296183

CN(Cc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C(F)(CCN1CCC(NS(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 3/20 0.56
TACR1 P25103 3/20 0.56
TACR3 P29371 3/20 0.56
SFRP1 Q8N474 2/20 0.39
OPRM1 P35372 1/20 0.38
SCN1A P35498 1/20 0.38
OPRL1 P41146 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
EPHX2 P34913 1/20 0.37
SMO Q99835 1/20 0.36
DDR1 Q08345 1/20 0.36
KMT2A Q03164 1/20 0.36
CCR5 P51681 1/20 0.36
P2RX7 Q99572 3/20 0.36
CCR1 P32246 1/20 0.36

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
SCHEMBL297869 0.95 TACR3 (0.64) TACR2TACR1TACR3SFRP1SMO
SCHEMBL297619 0.93 TACR3 (0.56) TACR2TACR1TACR3SFRP1SMO
SCHEMBL297276 0.93 TACR3 (0.51) TACR2TACR1TACR3SMOCCR5
SCHEMBL296864 0.92 TACR3 (0.55) TACR2TACR1TACR3SFRP1OPRM1
SCHEMBL297936 0.92 TACR3 (0.68) TACR2TACR1TACR3SFRP1OPRM1
SCHEMBL922238 0.91 TACR2 (0.51) TACR2TACR1TACR3SMODDR1
SCHEMBL296897 0.91 TACR2 (0.48) TACR2TACR1TACR3SMOCCR5
SCHEMBL297006 0.89 TACR3 (0.49) TACR2TACR1TACR3KMT2ACCR5
SCHEMBL296863 0.89 TACR2 (0.59) TACR2TACR1TACR3OPRM1SCN1A
SCHEMBL297234 0.86 TACR3 (0.76) TACR2TACR1TACR3SFRP1SMO

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 7 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-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
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 TACR2 21/4885TACR1 26/4885TACR3 95/4885
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS DRD2, DRD3, OPRL1 TACR2 21/4885TACR1 26/4885TACR3 95/4885

“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.