SCHEMBL1344658

SCHEMBL1344658

CC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.59
MC4R P32245 6/20 0.52
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
S1PR1 P21453 1/20 0.48
S1PR5 Q9H228 1/20 0.48

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
SCHEMBL1443765 1.00 RORC (0.59) RORCMC4RMEN1KMT2AS1PR1
SCHEMBL7997778 0.92 RORC (0.61) RORCS1PR1S1PR5
SCHEMBL7883236 0.92 RORC (0.61) RORCS1PR1S1PR5
SCHEMBL7832811 0.92 RORC (0.61) RORCS1PR1S1PR5
SCHEMBL1976054 0.89 RORC (0.62) RORCMC4RS1PR1S1PR5
SCHEMBL2778415 0.89 RORC (0.62) RORCMC4RS1PR1S1PR5
SCHEMBL3180726 0.89 RORC (0.62) RORCMC4RS1PR1S1PR5
SCHEMBL2226168 0.89 RORC (0.62) RORCMC4RS1PR1S1PR5
SCHEMBL8210627 0.89 RORC (0.62) RORCMC4RS1PR1S1PR5
SCHEMBL3007605 0.89 DRD2 (0.50) RORCMC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470524-B1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-07-24 EP disclosed
US-8394834-B2 Pyrrolidines as NK3 receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2013-03-12 US disclosed
EP-2470524-A1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-07-04 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-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-20110053948-A1 PYRROLIDINES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2011-03-03 US disclosed
WO-2011023626-A1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 WO disclosed
EP-2185540-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-05-19 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
WO-2009019163-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-12 WO 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 (3 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-20110053948-A1 PYRROLIDINES AS NK3 RECEPTOR ANTAGONISTS OPRM1, OPRK1, OPRL1 RORC 618/4885MC4R 134/4885MEN1 4513/4885
US-20090306043-A1 PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS OPRK1, OPRL1, OPRD1 RORC 820/4885MC4R 154/4885MEN1 4641/4885
US-20090042896-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS OPRL1, OPRK1, OPRD1 RORC 517/4885MC4R 189/4885MEN1 4841/4885

“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.