SCHEMBL1419702

SCHEMBL1419702

CCCC(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cccnc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 10/20 0.70
NAMPT P43490 1/20 0.48
NPSR1 Q6W5P4 3/20 0.43
SUCNR1 Q9BXA5 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.41
HSP90AA1 P07900 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2399475 0.85 CCR1 (0.66) CCR1NPSR1ALDH1A1NPC1RAB9A
SCHEMBL1420037 0.85 CCR1 (0.76) CCR1NPSR1ALDH1A1NPC1RAB9A
SCHEMBL2399317 0.84 CCR1 (0.76) CCR1NPSR1ALDH1A1NPC1RAB9A
SCHEMBL1419706 0.83 CCR1 (1.00) CCR1NPSR1ALDH1A1MAPTHSP90AA1
SCHEMBL2402892 0.83 CCR1 (0.87) CCR1NPSR1ALDH1A1MAPTHSP90AA1
SCHEMBL2400226 0.82 CCR1 (0.67) CCR1NPSR1ALDH1A1NPC1RAB9A
SCHEMBL2401593 0.82 CCR1 (0.85) CCR1NPSR1ALDH1A1MAPTHSP90AA1
SCHEMBL1419808 0.82 CCR1 (0.80) CCR1NAMPTNPSR1MAPTHSP90AA1
SCHEMBL1419861 0.81 CCR1 (0.87) CCR1NPSR1ALDH1A1NPC1RAB9A
SCHEMBL2399453 0.81 CCR1 (1.00) CCR1NPSR1ALDH1A1MAPTHSP90AA1

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 8 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

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 1/4885NAMPT 2996/4885NPSR1 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.