SCHEMBL6095313

SCHEMBL6095313

COc1ccc(CNC[C@H](C)c2ccccc2)cc1C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
BCHE P06276 3/20 0.49
NPSR1 Q6W5P4 1/20 0.46
OPRK1 P41145 1/20 0.44
KCNA3 P22001 1/20 0.44
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
ADRB2 P07550 1/20 0.43

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
SCHEMBL6095311 1.00 KMT2A (0.50) KMT2AMEN1BCHENPSR1OPRK1
SCHEMBL6094309 0.91 LMNA (0.54) KMT2AMEN1BCHENPSR1OPRK1
SCHEMBL6097182 0.91 LMNA (0.54) KMT2AMEN1BCHENPSR1OPRK1
SCHEMBL6680171 0.85 PPARA (0.51) KMT2AMEN1KCNA3PPARAPPARG
SCHEMBL6680168 0.85 PPARA (0.51) KMT2AMEN1KCNA3PPARAPPARG
SCHEMBL6092685 0.83 KMT2A (0.62) KMT2AMEN1BCHEKDM4ELMNA
SCHEMBL6092690 0.83 KMT2A (0.62) KMT2AMEN1BCHEKDM4ELMNA
SCHEMBL6095014 0.83 KMT2A (0.62) KMT2AMEN1BCHEKDM4ELMNA
SCHEMBL6093321 0.80 OPRK1 (0.62) KMT2AMEN1BCHEOPRK1KDM4E
SCHEMBL6093314 0.80 OPRK1 (0.62) KMT2AMEN1BCHEOPRK1KDM4E

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
US-7078565-B2 Benzamide derivatives as antagonists of orexin receptors SMITHKLINE BEECHAM PLC (GB) 2006-07-18 US disclosed
EP-1440052-B1 BENZAMIDE DERIVATIVES AS ANTAGONISTS OF OREXIN RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2005-12-14 EP disclosed
US-20050020584-A1 Benzamide derivatives as antagonists of orexin receptors SMITHKLINE BEECHAM P.L.C. (GB) 2005-01-27 US disclosed
EP-1440052-A1 BENZAMIDE DERIVATIVES AS ANTAGONISTS OF OREXIN RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2004-07-28 EP disclosed
WO-2003037847-A1 BENZAMIDE DERIVATIVES AS ANTAGONISTS OF OREXIN RECEPTORS SMITHKLINE BEECHAM P.L.C. (GB) 2003-05-08 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-20050020584-A1 Benzamide derivatives as antagonists of orexin receptors HCRTR2, HCRTR1, OXTR KMT2A 793/4885MEN1 2183/4885BCHE 440/4885

“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.