SCHEMBL2398740

SCHEMBL2398740

C=CCC[C@H](N)c1cccc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.39
IDO1 P14902 3/20 0.39
TDO2 P48775 1/20 0.39
BCDIN3D Q7Z5W3 4/20 0.36
MAOA P21397 1/20 0.35
OGG1 O15527 1/20 0.35
TAAR1 Q96RJ0 1/20 0.33
AGXT P21549 2/20 0.33
SLC6A9 P48067 2/20 0.32
ANPEP P15144 1/20 0.32
ENPEP Q07075 1/20 0.32
TGM2 P21980 1/20 0.32

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
SCHEMBL1419878 0.83 IDO1 (0.41) GBA1IDO1TDO2BCDIN3DMAOA
SCHEMBL30689582 0.80 TAAR1 (0.47) GBA1IDO1TDO2BCDIN3DMAOA
SCHEMBL7752784 0.80 IDO1 (0.36) GBA1IDO1TDO2OGG1TGM2
SCHEMBL3455734 0.80 IDO1 (0.36) GBA1IDO1TDO2OGG1TGM2
SCHEMBL30414866 0.80 IDO1 (0.39) GBA1IDO1TDO2
SCHEMBL25264955 0.80 IDO1 (0.39) GBA1IDO1TDO2
SCHEMBL25189449 0.80 IDO1 (0.39) GBA1IDO1TDO2
SCHEMBL3455735 0.80 IDO1 (0.36) GBA1IDO1TDO2OGG1TGM2
SCHEMBL16564871 0.79 DPP4 (0.39) MAOATGM2
SCHEMBL8050506 0.78 CYP2C19 (0.44) TAAR1

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 3 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

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 GBA1 2238/4885IDO1 187/4885TDO2 3352/4885

“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.