SCHEMBL2402829

SCHEMBL2402829

Cc1c(C(=O)N[C@@H](c2ccccc2)c2ccc(F)c(C(F)(F)F)c2)cnn1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 7/20 0.51
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
S1PR3 Q99500 3/20 0.40
S1PR4 O95977 2/20 0.40
HSD17B2 P37059 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
S1PR2 O95136 1/20 0.38
NTRK1 P04629 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
SCHEMBL2398949 0.88 CCR1 (0.59) CCR1CNR1CNR2NPSR1HSP90AA1
SCHEMBL2399482 0.79 CCR1 (0.69) CCR1NPC1RAB9ACNR1NPSR1
SCHEMBL2398941 0.77 CCR1 (0.71) CCR1NPC1RAB9ANPSR1HSP90AA1
SCHEMBL2401816 0.77 CCR1 (0.58) CCR1NPC1RAB9ANPSR1HSP90AA1
SCHEMBL2398963 0.76 CCR1 (0.52) CCR1NPC1RAB9ACNR1CNR2
SCHEMBL2401015 0.76 CCR1 (0.67) CCR1CNR1CNR2NPSR1HSP90AA1
SCHEMBL2400231 0.76 CCR1 (0.72) CCR1NPC1RAB9ANPSR1HSP90AA1
SCHEMBL2401809 0.75 CCR1 (0.51) CCR1NPC1RAB9ACNR1CNR2
SCHEMBL2399393 0.70 CCR1 (0.49) CCR1NPC1RAB9ACNR1CNR2
SCHEMBL1419818 0.70 CYP26A1 (0.56) CCR1NPC1RAB9ACNR1CNR2

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 1/4885NPC1 1189/4885RAB9A 2136/4885

“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.