SCHEMBL1419964

SCHEMBL1419964

CCCC(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1ccc(S(=O)(=O)CCC(=O)OC)nc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 10/20 0.77
PDE2A O00408 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 1/20 0.35
KCNK3 O14649 1/20 0.35
P2RY12 Q9H244 1/20 0.35
SMO Q99835 1/20 0.34
MAPK14 Q16539 1/20 0.34
ROCK2 O75116 1/20 0.34
UTS2R Q9UKP6 1/20 0.34

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
SCHEMBL2403070 0.90 CCR1 (0.87) CCR1NPSR1ALDH1A1SMOMAPK14
SCHEMBL1420377 0.89 CCR1 (0.63) CCR1PDE2ANPSR1P2RY12SMO
SCHEMBL2404036 0.89 CCR1 (0.79) CCR1NPSR1ALDH1A1SMOMAPK14
SCHEMBL2399453 0.87 CCR1 (1.00) CCR1PDE2ANPSR1ALDH1A1SMO
SCHEMBL1419861 0.87 CCR1 (0.87) CCR1NPSR1ALDH1A1SMOMAPK14
SCHEMBL12264382 0.87 CCR1 (1.00) CCR1PDE2ANPSR1ALDH1A1SMO
SCHEMBL2400026 0.85 CCR1 (0.84) CCR1NPSR1ALDH1A1SMOMAPK14
SCHEMBL2454174 0.85 CCR1 (0.84) CCR1NPSR1ALDH1A1SMOMAPK14
SCHEMBL1420350 0.85 CCR1 (0.77) CCR1PDE2ANPSR1ALDH1A1P2RY12
SCHEMBL2399714 0.85 CCR1 (0.82) CCR1NPSR1MAPK14UTS2R

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 11 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
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-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 1/4885PDE2A 1593/4885NPSR1 1800/4885

“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.