SCHEMBL296792

SCHEMBL296792

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

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 5/20 0.67
TACR2 P21452 3/20 0.67
TACR1 P25103 3/20 0.67
OPRM1 P35372 2/20 0.38
OPRL1 P41146 2/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
CCR1 P32246 1/20 0.37
EPHX2 P34913 1/20 0.36
HRH1 P35367 1/20 0.36
CCR3 P51677 1/20 0.36
KCNH2 Q12809 2/20 0.35
CACNA1I Q9P0X4 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RX7 Q99572 4/20 0.35
GPR119 Q8TDV5 1/20 0.35
SFRP1 Q8N474 1/20 0.35

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
SCHEMBL295924 0.95 TACR3 (0.75) TACR3TACR2TACR1CCR1HRH1
SCHEMBL3271085 0.94 TACR3 (0.74) TACR3TACR2TACR1CCR1HRH1
SCHEMBL296922 0.93 TACR3 (0.66) TACR3TACR2TACR1OPRM1OPRL1
SCHEMBL296239 0.93 TACR3 (0.60) TACR3TACR2TACR1HRH1CCR3
SCHEMBL296864 0.92 TACR3 (0.55) TACR3TACR2TACR1OPRM1OPRL1
SCHEMBL297936 0.92 TACR3 (0.68) TACR3TACR2TACR1OPRM1OPRL1
SCHEMBL296791 0.88 TACR3 (0.72) TACR3TACR2TACR1OPRM1OPRL1
SCHEMBL295657 0.88 TACR3 (0.65) TACR3TACR2TACR1OPRM1OPRL1
SCHEMBL295658 0.88 TACR3 (0.71) TACR3TACR2TACR1OPRM1OPRL1
SCHEMBL296503 0.87 TACR3 (0.63) TACR3TACR2TACR1CCR1HRH1

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-2200982-B1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-03-14 EP claimed
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS KNUST HENNER 2011-01-27 US claimed
US-20090076081-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2009-03-19 US claimed
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
EP-2200982-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-06-30 EP disclosed
WO-2009033995-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-03-19 WO 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 TACR3 95/4885TACR2 21/4885TACR1 26/4885
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS DRD2, DRD3, OPRL1 TACR3 95/4885TACR2 21/4885TACR1 26/4885

“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.