SCHEMBL1344798

SCHEMBL1344798

CC(=O)C1CN(Cc2ccccc2)CC1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.53
F10 P00742 2/20 0.47
PRSS1 P07477 2/20 0.47
SLC6A3 Q01959 2/20 0.47
S1PR5 Q9H228 4/20 0.46
S1PR1 P21453 3/20 0.46
SIGMAR1 Q99720 5/20 0.45
HTR2A P28223 1/20 0.45
KCNH2 Q12809 1/20 0.45
MC4R P32245 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
SCHEMBL1345133 1.00 RORC (0.53) RORCF10PRSS1SLC6A3S1PR5
SCHEMBL2782848 0.90 RORC (0.55) RORCF10SLC6A3S1PR5S1PR1
SCHEMBL1713482 0.90 RORC (0.55) RORCF10SLC6A3S1PR5S1PR1
SCHEMBL1975861 0.90 RORC (0.55) RORCF10SLC6A3S1PR5S1PR1
SCHEMBL4162044 0.90 RORC (0.55) RORCF10SLC6A3S1PR5S1PR1
SCHEMBL1713451 0.90 RORC (0.50) RORCF10PRSS1S1PR5S1PR1
SCHEMBL1344715 0.90 RORC (0.50) RORCF10PRSS1SLC6A3S1PR5
SCHEMBL1713887 0.88 RORC (0.51) RORCSLC6A3S1PR5S1PR1SIGMAR1
SCHEMBL2229912 0.88 RORC (0.53) RORCF10PRSS1SLC6A3S1PR5
SCHEMBL1975601 0.88 RORC (0.53) RORCF10PRSS1SLC6A3S1PR5

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398768-B1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2016-08-24 EP disclosed
US-8318759-B2 Pyrrolidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-11-27 US disclosed
EP-2398768-A1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-12-28 EP disclosed
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-2190815-B1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-08-10 EP 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
US-7812021-B2 Pyrrolidine aryl-ether as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2010-10-12 US disclosed
WO-2010094667-A1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20100210659-A1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-08-19 US 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-20090054644-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2009-02-26 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 (4 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-20100210659-A1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS OPRL1, OPRK1, OPRD1 RORC 1018/4885F10 4189/4885PRSS1 2831/4885
US-20090054644-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS OPRL1, OPRD1, OPRK1 RORC 456/4885F10 3581/4885PRSS1 2137/4885
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.