SCHEMBL297293

SCHEMBL297293

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

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 2/20 0.48
CCR5 P51681 3/20 0.45
TACR2 P21452 14/20 0.43
TACR1 P25103 4/20 0.43
HTR7 P34969 1/20 0.42

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
SCHEMBL296943 0.95 TACR3 (0.54) TACR3CCR5TACR2TACR1HTR7
SCHEMBL297831 0.94 TACR3 (0.48) TACR3CCR5TACR2TACR1HTR7
SCHEMBL297486 0.93 TACR3 (0.45) TACR3CCR5TACR2TACR1
SCHEMBL297773 0.92 TACR3 (0.45) TACR3CCR5TACR2TACR1
SCHEMBL296616 0.91 TACR3 (0.49) TACR3CCR5TACR2TACR1
SCHEMBL296951 0.91 TACR3 (0.47) TACR3CCR5TACR2TACR1
SCHEMBL296621 0.90 TACR3 (0.45) TACR3CCR5TACR2TACR1
SCHEMBL296677 0.90 TACR2 (0.50) TACR3CCR5TACR2TACR1
SCHEMBL296296 0.89 TACR2 (0.47) TACR3TACR2TACR1
SCHEMBL297238 0.89 TACR2 (0.46) TACR3CCR5TACR2TACR1

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 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
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
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 95/4885CCR5 1096/4885TACR2 21/4885
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS DRD2, DRD3, OPRL1 TACR3 95/4885CCR5 1096/4885TACR2 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.