SCHEMBL1420232

SCHEMBL1420232

CCCC(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cncc(S(=O)(=O)CCCO)c1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 12/20 0.79
NPSR1 Q6W5P4 3/20 0.39
SMO Q99835 1/20 0.38
MAPK14 Q16539 1/20 0.38
MAPT P10636 2/20 0.38
HSP90AA1 P07900 1/20 0.38
ALDH1A1 P00352 1/20 0.37
FPR1 P21462 1/20 0.36
CYP3A4 P08684 1/20 0.35

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
SCHEMBL2402892 0.92 CCR1 (0.87) CCR1NPSR1SMOMAPK14MAPT
SCHEMBL1420350 0.89 CCR1 (0.77) CCR1NPSR1SMOMAPK14MAPT
SCHEMBL1419706 0.88 CCR1 (1.00) CCR1NPSR1SMOMAPK14MAPT
SCHEMBL2401593 0.88 CCR1 (0.85) CCR1NPSR1SMOMAPK14MAPT
SCHEMBL2402878 0.87 CCR1 (0.79) CCR1NPSR1SMOMAPK14MAPT
SCHEMBL2401114 0.87 CCR1 (0.84) CCR1NPSR1SMOMAPK14MAPT
SCHEMBL2399558 0.87 CCR1 (0.84) CCR1NPSR1SMOMAPK14MAPT
SCHEMBL2401776 0.86 CCR1 (0.83) CCR1NPSR1SMOMAPK14FPR1
SCHEMBL2398053 0.85 CCR1 (0.64) CCR1NPSR1SMOMAPK14MAPT
SCHEMBL2400491 0.85 CCR1 (0.80) CCR1NPSR1SMOMAPK14MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297112-B1 PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2013-04-03 EP disclosed
US-8293917-B2 Pyrazole compounds as CCR1 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-8293917-B2 Pyrazole compounds as CCR1 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110230521-A1 Pyrazole Compounds As CCR1 Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-22 US disclosed
US-20110230521-A1 Pyrazole Compounds As CCR1 Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-22 US disclosed
US-20110230521-A1 Pyrazole Compounds As CCR1 Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-22 US disclosed
EP-2297112-A1 PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2011-03-23 EP disclosed
WO-2009137338-A1 PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-12 WO disclosed
WO-2009137338-A1 PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-12 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 (1 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-20110230521-A1 Pyrazole Compounds As CCR1 Antagonists CCR1, CCR3, CCR4 CCR1 1/4885NPSR1 1800/4885SMO 3271/4885

“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.