SCHEMBL2398858

SCHEMBL2398858

CC[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1ccnc(S(=O)(=O)CCC(=O)OC)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 13/20 0.56
CYP3A4 P08684 1/20 0.49
PDE2A O00408 4/20 0.41
NPSR1 Q6W5P4 2/20 0.37
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL1420377 0.94 CCR1 (0.63) CCR1CYP3A4PDE2ANPSR1HSP90AA1
SCHEMBL2398856 0.88 CCR1 (0.68) CCR1CYP3A4PDE2ANPSR1HSP90AA1
SCHEMBL2399477 0.85 CCR1 (0.61) CCR1CYP3A4PDE2ANPSR1HSP90AA1
SCHEMBL2403703 0.84 CCR1 (0.70) CCR1CYP3A4NPSR1HSP90AA1MAPT
SCHEMBL2398053 0.83 CCR1 (0.64) CCR1CYP3A4NPSR1HSP90AA1MAPT
SCHEMBL1419964 0.83 CCR1 (0.77) CCR1PDE2ANPSR1
SCHEMBL2401079 0.82 CCR1 (0.78) CCR1CYP3A4NPSR1HSP90AA1MAPT
SCHEMBL12264440 0.80 CCR1 (0.59) CCR1CYP3A4PDE2ANPSR1HSP90AA1
SCHEMBL2402871 0.80 CCR1 (0.59) CCR1CYP3A4PDE2ANPSR1HSP90AA1
SCHEMBL2353337 0.80 CCR1 (0.79) CCR1CYP3A4

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-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 1/4885CYP3A4 1100/4885PDE2A 1593/4885

“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.