SCHEMBL2402003

SCHEMBL2402003

CCCC(NC(=O)c1cnn(-c2cccc(Cl)c2)c1C)c1cncc(S(C)(=O)=O)c1

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 10/20 0.84
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.40
FPR1 P21462 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK14 Q16539 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL1419706 0.91 CCR1 (1.00) CCR1FPR1MAPK14MAPT
SCHEMBL2399146 0.90 CCR1 (0.84) CCR1FPR1RAB9ANPC1POLB
SCHEMBL1419810 0.89 CCR1 (0.83) CCR1FPR1RAB9ANPC1
SCHEMBL2399407 0.89 CCR1 (0.88) CCR1FPR1RAB9ANPC1POLB
SCHEMBL2401092 0.88 CCR1 (0.81) CCR1FPR1RAB9ANPC1MAPK14
SCHEMBL2402834 0.88 CCR1 (0.87) CCR1FPR1RAB9ANPC1POLB
SCHEMBL2400289 0.88 CCR1 (0.80) CCR1FPR1RAB9ANPC1
SCHEMBL2398922 0.86 CCR1 (0.84) CCR1FPR1RAB9ANPC1POLB
SCHEMBL2402892 0.84 CCR1 (0.87) CCR1FPR1MAPK14MAPT
SCHEMBL2401593 0.84 CCR1 (0.85) CCR1FPR1MAPK14MAPT

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 1/4885HTT 4496/4885KMT2A 4717/4885

“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.