SCHEMBL5235973

SCHEMBL5235973

OCC1CN(Cc2ccccc2)CC1c1ccccc1

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
SCHEMBL417494 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831210-A1 8-AZA-BICYCLO[3.2.1]OCTANE DERIVATIVES WITH AN ACTIVITY ON CHEMOKINE CCR5 RECEPTORS Pfizer Limited (GB) 2007-09-12 EP disclosed
US-7125887-B2 Pyrrolidine modulators of CCR5 chemokine receptor activity MERCK & CO., INC. (US) 2006-10-24 US disclosed
WO-2006067584-A1 8-AZA-BICYCLO (3.2.1) OCTANE DERIVATIVES WITH AN ACTIVITY ON CHEMOKINE CCR5 RECEPTORS PFIZER LIMITED (GB) 2006-06-29 WO disclosed
US-20040087552-A1 Pyrrolidine modulators of ccr5 chemokine receptor activity MERCK SHARP & DOHME CORP. 2004-05-06 US disclosed
EP-1326619-A2 PYRROLIDINE MODULATORS OF CCR5 CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2003-07-16 EP disclosed
US-6531484-B2 Viricides for preventing infection by HIV, treating infection by HIV, delaying of the onset of AIDS, or treating AIDS MERCK & CO., INC. 2003-03-11 US disclosed
US-20020198178-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity MERCK SHARP & DOHME CORP. 2002-12-26 US disclosed
US-6498161-B1 TREATING INFECTION BY HIV; DELAYING OF THE ONSET OF AIDS; ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS OR RHEUMATOID ARTHRITIS MERCK & CO., INC. 2002-12-24 US disclosed
US-20020094989-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity HALE JEFFREY J (US) 2002-07-18 US disclosed
US-6399619-B1 PREVENTION AND TREATMENT OF AIDS AND VIRAL INFECTION BY HIV MERCK & CO., INC. 2002-06-04 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-2000059503-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-10-12 WO 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-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-20020094989-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity CCR5, CCR1, CXCR1 GBA1 3545/4885CCR5 1/4885RORC 471/4885
US-20040087552-A1 Pyrrolidine modulators of ccr5 chemokine receptor activity CCR5, CCR1, CXCR1 GBA1 3563/4885CCR5 1/4885RORC 404/4885
US-20020198178-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity CCR5, CCR1, CCL5 GBA1 4144/4885CCR5 1/4885RORC 691/4885

“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.