SCHEMBL2401092

SCHEMBL2401092

CCCC(NC(=O)c1cnn(-c2ccc(F)c(F)c2)c1C)c1cncc(S(C)(=O)=O)c1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 15/20 0.81
CYP3A4 P08684 1/20 0.42
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
FPR1 P21462 1/20 0.36
MAPK14 Q16539 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
SCHEMBL1419810 0.93 CCR1 (0.83) CCR1CYP3A4NPC1RAB9AFPR1
SCHEMBL2400289 0.93 CCR1 (0.80) CCR1CYP3A4NPC1RAB9AFPR1
SCHEMBL2399407 0.90 CCR1 (0.88) CCR1CYP3A4NPC1RAB9AFPR1
SCHEMBL1419706 0.90 CCR1 (1.00) CCR1CYP3A4FPR1MAPK14
SCHEMBL2402834 0.90 CCR1 (0.87) CCR1CYP3A4NPC1RAB9AFPR1
SCHEMBL2402003 0.88 CCR1 (0.84) CCR1NPC1RAB9AFPR1MAPK14
SCHEMBL2399146 0.88 CCR1 (0.84) CCR1CYP3A4NPC1RAB9AFPR1
SCHEMBL2398922 0.88 CCR1 (0.84) CCR1CYP3A4NPC1RAB9AFPR1
SCHEMBL2401774 0.86 CCR1 (0.70) CCR1CYP3A4
SCHEMBL2401841 0.85 CCR1 (0.80) CCR1CYP3A4NPC1RAB9AFPR1

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 1100/4885NPC1 1189/4885

“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.