SCHEMBL562155

SCHEMBL562155

Clc1ccc(OCc2ccccc2)c(CBr)c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 15/20 0.55
CCR5 P51681 1/20 0.53
STAT3 P40763 1/20 0.52
SLC6A4 P31645 1/20 0.51

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
SCHEMBL18783656 0.90 CCR5 (0.59) PTGER1CCR5STAT3SLC6A4
SCHEMBL561548 0.87 SLC6A4 (0.51) PTGER1CCR5STAT3SLC6A4
SCHEMBL4720836 0.85 PTGER1 (0.56) PTGER1CCR5STAT3SLC6A4
SCHEMBL14775776 0.84 PTGER1 (0.55) PTGER1CCR5STAT3SLC6A4
SCHEMBL2954443 0.84 MAPT (0.60) PTGER1
SCHEMBL1196687 0.84 CCR5 (0.64) PTGER1CCR5STAT3SLC6A4
SCHEMBL18783678 0.83 MAPT (0.57) PTGER1SLC6A4
Hydrochloric Acid SCHEMBL6214742 0.83 CCR5 (0.62) PTGER1CCR5STAT3SLC6A4
SCHEMBL30557975 0.83 PTGER1 (0.54) PTGER1CCR5STAT3SLC6A4
SCHEMBL30353418 0.82 CCR5 (0.68) PTGER1CCR5SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2766344-B1 EP1 RECEPTOR LIGANDS ESTEVE LABOR DR (ES) 2017-05-03 EP disclosed
US-9149462-B2 Pyrazole compounds acting against allergic, inflammatory and immune disorders GLAXO GROUP LIMITED (GB) 2015-10-06 US disclosed
EP-2630127-A1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, INFLAMMATORY AND IMMUNE DISORDERS Glaxo Group Limited (GB) 2013-08-28 EP disclosed
US-20130217658-A1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, INFLAMMATORY AND IMMUNE DISORDERS GLAXO GROUP LIMITED (GB) 2013-08-22 US disclosed
EP-2570125-A1 Ep1 receptor ligands Almirall, S.A. (ES) 2013-03-20 EP disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
WO-2012052459-A1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, INFLAMMATORY AND IMMUNE DISORDERS GLAXO GROUP LIMITED (GB) 2012-04-26 WO disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
EP-2421834-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANNEL INHIBITORS Glaxo Group Limited (GB) 2012-02-29 EP disclosed
EP-2421835-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS Glaxo Group Limited (GB) 2012-02-29 EP disclosed
WO-2006114274-A1 OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PGE2 MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2006-11-02 WO disclosed
EP-1675832-A1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-07-05 EP disclosed
WO-2006066968-A1 PYRIDINE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2006-06-29 WO disclosed
WO-2005040128-A1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-05-06 WO disclosed
EP-0773930-B1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LTD (GB) 2000-10-11 EP disclosed
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
US-5843942-A Aromatic amino ethers as pain relieving agents ZENECA LIMITED (GB) 1998-12-01 US disclosed
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed
EP-0773930-A1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LIMITED (GB) 1997-05-21 EP disclosed
WO-1996003380-A1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LIMITED (GB) 1996-02-08 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 (2 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-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS ORAI1, TRPV1, CACNA1E PTGER1 627/4885CCR5 306/4885STAT3 3328/4885
US-20130217658-A1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, INFLAMMATORY AND IMMUNE DISORDERS NLRP3, IL33, IL5 PTGER1 206/4885CCR5 185/4885STAT3 1163/4885

“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.