SCHEMBL417494

SCHEMBL417494

OC[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.63
CCR5 P51681 6/20 0.62
RORC P51449 3/20 0.61
FUCA1 P04066 2/20 0.51
KDM1A O60341 1/20 0.49

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
SCHEMBL5235973 1.00 GBA1 (0.63) GBA1CCR5RORCFUCA1KDM1A
SCHEMBL7817708 1.00 GBA1 (0.63) GBA1CCR5RORCFUCA1KDM1A
SCHEMBL14921522 0.91 RORC (0.59) GBA1CCR5RORCFUCA1
SCHEMBL2780932 0.91 RORC (0.59) GBA1CCR5RORCFUCA1
SCHEMBL2781601 0.91 RORC (0.59) GBA1CCR5RORCFUCA1
SCHEMBL2780934 0.91 RORC (0.59) GBA1CCR5RORCFUCA1
SCHEMBL2820735 0.90 RORC (0.58) GBA1CCR5RORCFUCA1
SCHEMBL2820737 0.90 RORC (0.58) GBA1CCR5RORCFUCA1
SCHEMBL12303453 0.88 CCR5 (0.59) GBA1CCR5RORCFUCA1KDM1A
SCHEMBL7829849 0.88 CCR5 (0.59) GBA1CCR5RORCFUCA1KDM1A

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1882684-B1 PYRROLIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-12-10 EP disclosed
US-20130253201-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOCYCLIC ACIDS HOFFMANN-LA ROCHE INC. (US) 2013-09-26 US disclosed
US-20130253201-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOCYCLIC ACIDS HOFFMANN-LA ROCHE INC. (US) 2013-09-26 US disclosed
US-8394834-B2 Pyrrolidines as NK3 receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2013-03-12 US disclosed
EP-2420487-A1 NOVEL METHOD FOR PRODUCING OPTICALLY ACTIVE PYRROLIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-22 EP disclosed
US-20120022271-A1 NOVEL METHOD FOR PRODUCING OPTICALLY ACTIVE PYRROLIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-01-26 US disclosed
US-8076349-B2 Such as (3S,4S)-3-[3-(4-Methanesulfonylbenzyl)-bicyclo[3.2.1]-2,4-dioxo-1 alpha ,3,8-triaza-spiro[4.5]dodec-8-ylmethyl]-4-phenyl-pyrrolidine-1-carboxylic acid tert-butyl ester; inflammation; HIV VIROCHEM PHARMA INC. (CA) 2011-12-13 US disclosed
US-8063075-B2 Pyrrolidine ether derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
EP-1786815-B1 SPIRO COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY VIROCHEM PHARMA INC (CA) 2011-08-24 EP disclosed
US-20110105758-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYLCARBOCYCLIC ACIDS BACHMANN STEPHAN 2011-05-05 US disclosed
US-6265434-B1 ANTIINFLAMMATORY AGENTS MERCK & CO., INC. 2001-07-24 US disclosed
US-6248755-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES MERCK & CO., INC. 2001-06-19 US disclosed
EP-1009405-A4 PYRROLIDINE AND PIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2001-05-09 EP disclosed
US-6166037-A Pyrrolidine and piperidine modulators of chemokine receptor activity MERCK & CO., INC. (US) 2000-12-26 US disclosed
WO-2000059498-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-10-12 WO disclosed
WO-2000059502-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-10-12 WO disclosed
WO-2000059503-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-10-12 WO disclosed
WO-2000059497-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-10-12 WO disclosed
EP-1009405-A1 PYRROLIDINE AND PIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2000-06-21 EP disclosed
WO-1999009984-A1 PYRROLIDINE AND PIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 1999-03-04 WO 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-20110105758-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYLCARBOCYCLIC ACIDS AHR, AR, CYP8B1 GBA1 1116/4885CCR5 169/4885RORC 38/4885
US-20130253201-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOCYCLIC ACIDS AHR, CYP8B1, ADRA2C GBA1 1322/4885CCR5 109/4885RORC 45/4885
US-20120022271-A1 NOVEL METHOD FOR PRODUCING OPTICALLY ACTIVE PYRROLIDINE COMPOUND PPOX, CBR3, ALDH18A1 GBA1 554/4885CCR5 1278/4885RORC 666/4885

“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.