SCHEMBL294866

SCHEMBL294866

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

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 6/20 0.67
TACR1 P25103 5/20 0.67
TACR2 P21452 3/20 0.67
KCNH2 Q12809 3/20 0.39
GPR119 Q8TDV5 2/20 0.39
SFRP1 Q8N474 2/20 0.39
DDR1 Q08345 3/20 0.36
CCR5 P51681 2/20 0.36
GPR183 P32249 1/20 0.36
SMO Q99835 1/20 0.35
CACNA1I Q9P0X4 1/20 0.34

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
SCHEMBL300164 1.00 TACR3 (0.67) TACR3TACR1TACR2KCNH2GPR119
SCHEMBL935032 1.00 TACR3 (0.67) TACR3TACR1TACR2KCNH2GPR119
SCHEMBL297234 0.94 TACR3 (0.76) TACR3TACR1TACR2KCNH2GPR119
SCHEMBL297936 0.93 TACR3 (0.68) TACR3TACR1TACR2KCNH2SFRP1
SCHEMBL297400 0.92 TACR3 (0.65) TACR3TACR1TACR2KCNH2GPR119
SCHEMBL296922 0.92 TACR3 (0.66) TACR3TACR1TACR2KCNH2GPR119
SCHEMBL297619 0.92 TACR3 (0.56) TACR3TACR1TACR2KCNH2GPR119
SCHEMBL297970 0.91 TACR3 (0.61) TACR3TACR1TACR2KCNH2GPR119
SCHEMBL296958 0.91 TACR3 (0.60) TACR3TACR1TACR2KCNH2CCR5
SCHEMBL296921 0.90 TACR3 (0.71) TACR3TACR1TACR2KCNH2GPR119

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

“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.