SCHEMBL2401079

SCHEMBL2401079

CCCC(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1ccnc(S(C)(=O)=O)c1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 14/20 0.78
CYP3A4 P08684 1/20 0.55
NPSR1 Q6W5P4 3/20 0.40
SMO Q99835 1/20 0.39
MAPK14 Q16539 1/20 0.39
KCNH2 Q12809 1/20 0.39
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
UTS2R Q9UKP6 1/20 0.38

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
SCHEMBL2398856 0.94 CCR1 (0.68) CCR1CYP3A4NPSR1KCNH2HSP90AA1
SCHEMBL2403703 0.93 CCR1 (0.70) CCR1CYP3A4NPSR1SMOMAPK14
SCHEMBL1419756 0.92 CCR1 (0.69) CCR1CYP3A4NPSR1SMOMAPK14
SCHEMBL2399306 0.92 CCR1 (0.66) CCR1CYP3A4KCNH2
SCHEMBL1420084 0.92 CCR1 (0.68) CCR1CYP3A4NPSR1SMOMAPK14
SCHEMBL2398690 0.91 CCR1 (0.67) CCR1CYP3A4NPSR1SMOMAPK14
SCHEMBL12264560 0.90 CCR1 (0.64) CCR1CYP3A4KCNH2
SCHEMBL2403065 0.89 CCR1 (0.65) CCR1CYP3A4NPSR1SMOMAPK14
SCHEMBL2401030 0.89 CCR1 (0.65) CCR1CYP3A4NPSR1SMOMAPK14
SCHEMBL2398053 0.89 CCR1 (0.64) CCR1CYP3A4NPSR1SMOMAPK14

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 7 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
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 1/4885CYP3A4 1100/4885NPSR1 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.