SCHEMBL1419783

SCHEMBL1419783

N[C@H](c1cccc(Br)c1)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.43
OPRD1 P41143 5/20 0.43
OPRK1 P41145 5/20 0.43
OPRL1 P41146 5/20 0.43
IDO1 P14902 3/20 0.43
TDO2 P48775 1/20 0.43
MBTD1 Q05BQ5 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
KDM1A O60341 2/20 0.39
SLC18A3 Q16572 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL4520767 1.00 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1IDO1
SCHEMBL4742177 0.93 MBTD1 (0.42) OPRM1OPRD1OPRK1OPRL1IDO1
SCHEMBL4734690 0.93 MBTD1 (0.42) OPRM1OPRD1OPRK1OPRL1IDO1
SCHEMBL4742181 0.91 MBTD1 (0.41) OPRM1OPRD1OPRK1OPRL1IDO1
SCHEMBL4141018 0.81 SLC18A3 (0.46) IDO1TDO2MBTD1L3MBTL3SLC18A3
SCHEMBL2677605 0.78 OPRL1 (0.59) OPRM1OPRD1OPRK1OPRL1
SCHEMBL632624 0.78 OPRL1 (0.59) OPRM1OPRD1OPRK1OPRL1
SCHEMBL2675785 0.77 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1IDO1
SCHEMBL20844697 0.77 OPRL1 (0.40) OPRM1OPRD1OPRK1OPRL1IDO1
SCHEMBL2676517 0.77 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1IDO1

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 5 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-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 OPRM1 1354/4885OPRD1 721/4885OPRK1 295/4885

“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.