SCHEMBL297869

SCHEMBL297869

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

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 4/20 0.64
TACR2 P21452 3/20 0.64
TACR1 P25103 3/20 0.64
SFRP1 Q8N474 1/20 0.38
UBE2M P61081 2/20 0.37
DCUN1D1 Q96GG9 2/20 0.37
DDR1 Q08345 3/20 0.37
CCR5 P51681 2/20 0.36
KCNH2 Q12809 2/20 0.36
GPR119 Q8TDV5 2/20 0.36
CCR1 P32246 2/20 0.36
SMO Q99835 1/20 0.35
TRPM8 Q7Z2W7 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
SCHEMBL296183 0.95 TACR2 (0.56) TACR3TACR2TACR1SFRP1DDR1
SCHEMBL297619 0.94 TACR3 (0.56) TACR3TACR2TACR1SFRP1DDR1
SCHEMBL297234 0.92 TACR3 (0.76) TACR3TACR2TACR1SFRP1UBE2M
SCHEMBL296503 0.92 TACR3 (0.63) TACR3TACR2TACR1SFRP1UBE2M
SCHEMBL297276 0.91 TACR3 (0.51) TACR3TACR2TACR1CCR5KCNH2
SCHEMBL922238 0.91 TACR2 (0.51) TACR3TACR2TACR1DDR1CCR5
SCHEMBL296502 0.89 TACR3 (0.68) TACR3TACR2TACR1UBE2MDCUN1D1
SCHEMBL297006 0.89 TACR3 (0.49) TACR3TACR2TACR1UBE2MDCUN1D1
SCHEMBL296897 0.88 TACR2 (0.48) TACR3TACR2TACR1UBE2MDCUN1D1
SCHEMBL297936 0.86 TACR3 (0.68) TACR3TACR2TACR1SFRP1DDR1

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 95/4885TACR2 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.