SCHEMBL6097213

SCHEMBL6097213

CONCc1cccc(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C19 P33261 2/20 0.54
TAAR1 Q96RJ0 3/20 0.50
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAOB P27338 2/20 0.47
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM1A O60341 1/20 0.43
ALOX5 P09917 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL662360 0.78 TAAR1 (0.66) CYP1A2CYP2D6CYP2C19TAAR1IDO1
SCHEMBL29455232 0.78 TAAR1 (0.66) CYP1A2CYP2D6CYP2C19TAAR1IDO1
SCHEMBL1420648 0.77 CYP1A2 (0.62) CYP1A2CYP2D6CYP2C19TAAR1IDO1
SCHEMBL27595056 0.77 LOXL2 (0.50) MAOBPRMT6ALDH1A1SMN1; SMN2
SCHEMBL6077089 0.77 TAAR1 (0.50) TAAR1IDO1AGXTMEN1KMT2A
SCHEMBL8218880 0.77 IDO1 (0.48) CYP1A2CYP2D6CYP2C19IDO1LMNA
SCHEMBL29196305 0.75 MEN1 (0.52) CYP1A2CYP2D6CYP2C19TAAR1IDO1
SCHEMBL6228914 0.75 LMNA (0.58) HPGDLMNAKDM4EALOX5ALDH1A1
SCHEMBL3622330 0.75 CYP1A2 (0.60) CYP1A2CYP2D6CYP2C19TAAR1IDO1
SCHEMBL8252 0.74 CYP3A4 (0.52) IDO1MEN1KMT2AHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078565-B2 Benzamide derivatives as antagonists of orexin receptors SMITHKLINE BEECHAM PLC (GB) 2006-07-18 US disclosed
US-20050020584-A1 Benzamide derivatives as antagonists of orexin receptors SMITHKLINE BEECHAM P.L.C. (GB) 2005-01-27 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-20050020584-A1 Benzamide derivatives as antagonists of orexin receptors HCRTR2, HCRTR1, OXTR CYP1A2 1535/4885CYP2D6 2286/4885CYP2C19 1462/4885

“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.