SCHEMBL2402883

SCHEMBL2402883

CCCC[C@H](NC(=O)c1cnn(-c2ccc(Cl)c(Cl)c2)c1C)c1cccc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 8/20 0.49
CYP26A1 O43174 2/20 0.43
P2RX7 Q99572 3/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
TACR3 P29371 2/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
PPARG P37231 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL2398035 0.97 CCR1 (0.49) CCR1CYP26A1P2RX7CNR1CNR2
SCHEMBL12311148 0.95 CCR1 (0.55) CCR1CYP26A1CNR1CNR2TACR3
SCHEMBL2399596 0.91 CCR1 (0.49) CCR1CYP26A1CNR1CNR2NPC1
SCHEMBL2401813 0.91 CCR1 (0.51) CCR1CYP26A1CNR1CNR2NPC1
SCHEMBL2397974 0.88 CCR1 (0.47) CCR1CYP26A1CNR1CNR2NPC1
SCHEMBL1419818 0.88 CYP26A1 (0.56) CCR1CYP26A1CNR1CNR2NPC1
SCHEMBL1420108 0.88 CCR1 (0.49) CCR1CYP26A1CNR1CNR2NPC1
SCHEMBL2399456 0.87 CCR1 (0.51) CCR1CYP26A1CNR1CNR2NPC1
SCHEMBL2401120 0.86 CCR1 (0.48) CCR1CYP26A1CNR1CNR2NPC1
SCHEMBL1419739 0.86 CCR1 (0.48) CCR1CYP26A1CNR1CNR2TACR3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885CYP26A1 369/4885P2RX7 381/4885

“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.