SCHEMBL1344715

SCHEMBL1344715

CC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(Cl)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.50
F10 P00742 2/20 0.45
PRSS1 P07477 2/20 0.45
MC4R P32245 4/20 0.45
S1PR1 P21453 1/20 0.42
S1PR5 Q9H228 1/20 0.42
GRIN2B Q13224 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL1713451 0.91 RORC (0.50) RORCF10PRSS1MC4RS1PR1
SCHEMBL1975394 0.91 RORC (0.52) RORCF10MC4RS1PR1S1PR5
SCHEMBL1893641 0.91 RORC (0.52) RORCF10MC4RS1PR1S1PR5
SCHEMBL3337004 0.91 RORC (0.52) RORCF10MC4RS1PR1S1PR5
SCHEMBL16780160 0.91 RORC (0.52) RORCF10MC4RS1PR1S1PR5
SCHEMBL1993817 0.91 RORC (0.52) RORCF10MC4RS1PR1S1PR5
SCHEMBL1438763 0.91 RORC (0.52) RORCF10PRSS1MC4RS1PR1
SCHEMBL1344798 0.90 RORC (0.53) RORCF10PRSS1MC4RS1PR1
SCHEMBL1345133 0.90 RORC (0.53) RORCF10PRSS1MC4RS1PR1
SCHEMBL2354780 0.88 SLC6A4 (0.47) RORCF10PRSS1SLC6A3

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
US-8063075-B2 Pyrrolidine ether derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
EP-2294063-B1 PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-11-02 EP disclosed
US-8012998-B2 Pyrrolidine aryl-ether as NK-3 receptor antagonists Hoffmann—La Roche Inc. (US) 2011-09-06 US disclosed
EP-2185540-B1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-07-20 EP disclosed
EP-2294063-A1 PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-03-16 EP disclosed
WO-2009150110-A1 PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 WO disclosed
US-20090306043-A1 PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2009-12-10 US disclosed
US-20090042896-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-12 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-20090306043-A1 PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS OPRK1, OPRL1, OPRD1 RORC 820/4885F10 3866/4885PRSS1 3929/4885
US-20090042896-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS OPRL1, OPRK1, OPRD1 RORC 517/4885F10 4157/4885PRSS1 2868/4885

“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.