SCHEMBL1420113

SCHEMBL1420113

C=CC[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 15/20 0.62
NPSR1 Q6W5P4 4/20 0.56
HSP90AA1 P07900 1/20 0.56
MAPT P10636 1/20 0.56
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.42
IL1B P01584 1/20 0.41
P2RX7 Q99572 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
SCHEMBL1419710 0.92 CCR1 (0.63) CCR1NPSR1HSP90AA1MAPTKDM4E
SCHEMBL1420357 0.90 CCR1 (0.58) CCR1NPSR1HSP90AA1MAPTKDM4E
SCHEMBL1420119 0.88 CCR1 (0.64) CCR1NPSR1HSP90AA1MAPTKDM4E
SCHEMBL1419523 0.86 CCR1 (0.59) CCR1NPSR1HSP90AA1MAPTKDM4E
SCHEMBL2399579 0.86 CCR1 (0.61) CCR1NPSR1HSP90AA1MAPTKDM4E
SCHEMBL1419858 0.85 CCR1 (0.60) CCR1NPSR1HSP90AA1MAPTKDM4E
SCHEMBL1419857 0.85 CCR1 (0.60) CCR1NPSR1HSP90AA1MAPTKDM4E
SCHEMBL13622623 0.85 CCR1 (0.67) CCR1NPSR1HSP90AA1MAPTKDM4E
SCHEMBL5682771 0.85 CCR1 (0.66) CCR1NPSR1HSP90AA1MAPTKDM4E
SCHEMBL13622736 0.81 CCR1 (0.51) CCR1NPSR1HSP90AA1MAPTKDM4E

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 1/4885NPSR1 1800/4885HSP90AA1 3171/4885

“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.