SCHEMBL2399306

SCHEMBL2399306

CCCC(NC(=O)c1cnn(-c2ccc(Cl)c(Cl)c2)c1C)c1ccnc(S(C)(=O)=O)c1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 14/20 0.66
CYP3A4 P08684 1/20 0.52
GRM5 P41594 5/20 0.36
KCNH2 Q12809 1/20 0.36
MAPK1 P28482 1/20 0.34

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
SCHEMBL2401079 0.92 CCR1 (0.78) CCR1CYP3A4KCNH2
SCHEMBL2400236 0.89 CCR1 (0.82) CCR1CYP3A4GRM5
SCHEMBL12264560 0.88 CCR1 (0.64) CCR1CYP3A4KCNH2MAPK1
SCHEMBL2399615 0.87 CCR1 (0.56) CCR1CYP3A4GRM5
SCHEMBL2398856 0.85 CCR1 (0.68) CCR1CYP3A4KCNH2
SCHEMBL2403703 0.85 CCR1 (0.70) CCR1CYP3A4
SCHEMBL2399146 0.84 CCR1 (0.84) CCR1CYP3A4GRM5
SCHEMBL1419756 0.84 CCR1 (0.69) CCR1CYP3A4
SCHEMBL1420084 0.83 CCR1 (0.68) CCR1CYP3A4
SCHEMBL2398690 0.83 CCR1 (0.67) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017070431-A1 USE OF CCR1 ANTAGONISTS AS A TREATMENT FOR TUMORS OF THE CENTRAL NERVOUS SYSTEM MERRITT JAMES (US) 2017-04-27 WO disclosed
US-20170112831-A1 USE OF CCR1 ANTAGONISTS AS A TREATMENT FOR TUMORS OF THE CENTRAL NERVOUS SYSTEM MERRITT JAMES (US) 2017-04-27 US disclosed
US-20170112831-A1 USE OF CCR1 ANTAGONISTS AS A TREATMENT FOR TUMORS OF THE CENTRAL NERVOUS SYSTEM MERRITT JAMES (US) 2017-04-27 US disclosed
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 (2 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 1100/4885GRM5 311/4885
US-20170112831-A1 USE OF CCR1 ANTAGONISTS AS A TREATMENT FOR TUMORS OF THE CENTRAL NERVOUS SYSTEM CCR1, CCR3, CCR4 CCR1 1/4885CYP3A4 4696/4885GRM5 220/4885

“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.