SCHEMBL2401809

SCHEMBL2401809

Cc1c(C(=O)NC(C)c2ccc(F)cc2)cnn1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 6/20 0.51
CNR1 P21554 2/20 0.50
CNR2 P34972 1/20 0.50
NPSR1 Q6W5P4 1/20 0.46
MAPK1 P28482 3/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PTGER4 P35408 2/20 0.43
PTGER2 P43116 1/20 0.43
EGLN1 Q9GZT9 2/20 0.43
P2RX7 Q99572 1/20 0.42

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 0.86 CCR1 (0.59) CCR1CNR1CNR2NPSR1MAPK1
SCHEMBL2401015 0.82 CCR1 (0.67) CCR1CNR1CNR2NPSR1PTGER4
SCHEMBL2400278 0.79 CCR1 (0.57) CCR1NPSR1NPC1RAB9AP2RX7
SCHEMBL2401057 0.78 CCR1 (0.54) CCR1CNR1CNR2
SCHEMBL2398963 0.76 CCR1 (0.52) CCR1CNR1CNR2NPC1RAB9A
SCHEMBL2399482 0.76 CCR1 (0.69) CCR1CNR1NPSR1NPC1RAB9A
SCHEMBL2399393 0.75 CCR1 (0.49) CCR1CNR1CNR2NPC1RAB9A
SCHEMBL2402829 0.75 CCR1 (0.51) CCR1CNR1CNR2NPSR1NPC1
SCHEMBL1575018 0.74 MAPK1 (0.61) CCR1NPSR1MAPK1NPC1RAB9A
SCHEMBL2402900 0.74 NOTUM (0.57) CCR1MAPK1NPC1RAB9A

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 1/4885CNR1 23/4885CNR2 41/4885

“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.