SCHEMBL2401015

SCHEMBL2401015

Cc1c(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 9/20 0.67
NPSR1 Q6W5P4 2/20 0.49
MAPT P10636 2/20 0.49
HSP90AA1 P07900 1/20 0.49
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
KDM4E B2RXH2 1/20 0.46
PPARG P37231 2/20 0.42
PTGER4 P35408 1/20 0.42
LIPG Q9Y5X9 1/20 0.41
DDR2 Q16832 1/20 0.40
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40

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
SCHEMBL13622623 0.91 CCR1 (0.67) CCR1NPSR1MAPTHSP90AA1KDM4E
SCHEMBL1254791 0.86 CCR1 (0.67) CCR1CNR1CNR2PPARGPTGER4
SCHEMBL1255267 0.86 CCR1 (0.67) CCR1CNR1CNR2PPARGPTGER4
SCHEMBL1135980 0.86 CCR1 (0.67) CCR1CNR1CNR2PPARGPTGER4
SCHEMBL2398949 0.84 CCR1 (0.59) CCR1NPSR1MAPTHSP90AA1CNR1
SCHEMBL12264505 0.83 CCR1 (0.52) CCR1NPSR1MAPTHSP90AA1KDM4E
SCHEMBL1420218 0.83 CCR1 (0.52) CCR1NPSR1MAPTHSP90AA1KDM4E
SCHEMBL2401809 0.82 CCR1 (0.51) CCR1NPSR1CNR1CNR2PTGER4
SCHEMBL5682771 0.81 CCR1 (0.66) CCR1NPSR1MAPTHSP90AA1KDM4E
SCHEMBL12892996 0.80 CCR1 (0.59) CCR1CNR1CNR2

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 1/4885NPSR1 1800/4885MAPT 3895/4885

“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.