SCHEMBL2398949

SCHEMBL2398949

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

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 8/20 0.59
CNR1 P21554 2/20 0.43
CNR2 P34972 1/20 0.43
PDE2A O00408 2/20 0.41
MAPK1 P28482 2/20 0.40
GPR139 Q6DWJ6 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ACACB O00763 1/20 0.39

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
SCHEMBL2399482 0.92 CCR1 (0.69) CCR1CNR1PDE2ANPSR1HSP90AA1
SCHEMBL2402829 0.88 CCR1 (0.51) CCR1CNR1CNR2NPSR1HSP90AA1
SCHEMBL2401809 0.86 CCR1 (0.51) CCR1CNR1CNR2MAPK1NPSR1
SCHEMBL2401015 0.84 CCR1 (0.67) CCR1CNR1CNR2NPSR1HSP90AA1
SCHEMBL2398941 0.80 CCR1 (0.71) CCR1PDE2ANPSR1HSP90AA1MAPT
SCHEMBL2401816 0.79 CCR1 (0.58) CCR1NPSR1HSP90AA1MAPTALDH1A1
SCHEMBL2400231 0.79 CCR1 (0.72) CCR1NPSR1HSP90AA1MAPTALDH1A1
SCHEMBL13622623 0.77 CCR1 (0.67) CCR1NPSR1HSP90AA1MAPTALDH1A1
SCHEMBL2401057 0.73 CCR1 (0.54) CCR1CNR1CNR2PDE2A
SCHEMBL2400278 0.72 CCR1 (0.57) CCR1NPSR1HSP90AA1MAPTALDH1A1

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.