SCHEMBL1342948

SCHEMBL1342948

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

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.62
TACR1 P25103 2/20 0.46
SIGMAR1 Q99720 1/20 0.45
MC4R P32245 4/20 0.44
DPP4 P27487 1/20 0.44
DRD4 P21917 1/20 0.43
FUCA1 P04066 2/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
GRIN2B Q13224 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
SCHEMBL15121585 1.00 RORC (0.62) RORCTACR1SIGMAR1MC4RDPP4
SCHEMBL1443541 1.00 RORC (0.62) RORCTACR1SIGMAR1MC4RDPP4
SCHEMBL1343829 1.00 RORC (0.62) RORCTACR1SIGMAR1MC4RDPP4
SCHEMBL12303419 0.92 RORC (0.64) RORCFUCA1GRIN2B
SCHEMBL8089289 0.92 RORC (0.64) RORCFUCA1GRIN2B
SCHEMBL8089286 0.92 RORC (0.64) RORCFUCA1GRIN2B
SCHEMBL12303418 0.92 RORC (0.64) RORCFUCA1GRIN2B
SCHEMBL3007011 0.89 RORC (0.53) RORCTACR1SIGMAR1DRD4DRD2
SCHEMBL3003822 0.89 RORC (0.53) RORCTACR1SIGMAR1DRD4DRD2
SCHEMBL7904084 0.89 RORC (0.53) RORCTACR1SIGMAR1DRD4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 618/4885TACR1 11/4885SIGMAR1 188/4885
US-20090306043-A1 PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS OPRK1, OPRL1, OPRD1 RORC 820/4885TACR1 16/4885SIGMAR1 195/4885
US-20090042896-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS OPRL1, OPRK1, OPRD1 RORC 517/4885TACR1 15/4885SIGMAR1 100/4885

“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.