SCHEMBL2397743

SCHEMBL2397743

CCCC(NC(=O)c1cnn(-c2ccc(F)cc2F)c1C)c1ccc(S(C)(=O)=O)nc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 9/20 0.68
CYP3A4 P08684 1/20 0.43
SPR P35270 1/20 0.38
POLB P06746 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 2/20 0.36
ROCK2 O75116 2/20 0.36
LMNA P02545 1/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
CDK9 P50750 1/20 0.35

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
SCHEMBL2400928 0.88 CCR1 (0.84) CCR1CYP3A4
SCHEMBL2401841 0.86 CCR1 (0.80) CCR1CYP3A4
SCHEMBL2401774 0.85 CCR1 (0.70) CCR1CYP3A4SPRPOLBALDH1A1
SCHEMBL2397663 0.84 CCR1 (0.79) CCR1CYP3A4ALDH1A1MAPK1
SCHEMBL2399454 0.84 CCR1 (0.81) CCR1CYP3A4ALDH1A1MAPK1
SCHEMBL2399453 0.81 CCR1 (1.00) CCR1CYP3A4ALDH1A1
SCHEMBL12264382 0.81 CCR1 (1.00) CCR1CYP3A4ALDH1A1
SCHEMBL2400236 0.81 CCR1 (0.82) CCR1CYP3A4CNR1CNR2
SCHEMBL1135514 0.76 CCR1 (0.66) CCR1CYP3A4
SCHEMBL568100 0.76 CCR1 (0.80) 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 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 1/4885CYP3A4 1100/4885SPR 2389/4885

“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.