SCHEMBL6093314

SCHEMBL6093314

COc1ccc(CNCC(C)c2ccccc2)cc1Br

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.62
MAPT P10636 2/20 0.59
BCHE P06276 3/20 0.53
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PKM P14618 2/20 0.47
GAA P10253 1/20 0.46
HTR2A P28223 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL6093321 1.00 OPRK1 (0.62) OPRK1MAPTBCHEALDH1A1KDM4E
SCHEMBL6095014 0.88 KMT2A (0.62) MAPTBCHEALDH1A1KDM4ETDP1
SCHEMBL6092685 0.88 KMT2A (0.62) MAPTBCHEALDH1A1KDM4ETDP1
SCHEMBL6092690 0.88 KMT2A (0.62) MAPTBCHEALDH1A1KDM4ETDP1
SCHEMBL6267569 0.85 OPRK1 (0.60) OPRK1MAPTALDH1A1KDM4ETDP1
SCHEMBL6267565 0.85 OPRK1 (0.60) OPRK1MAPTALDH1A1KDM4ETDP1
SCHEMBL6094415 0.82 L3MBTL1 (0.55) BCHEKDM4EMEN1KMT2AL3MBTL1
SCHEMBL6094413 0.82 L3MBTL1 (0.55) BCHEKDM4EMEN1KMT2AL3MBTL1
SCHEMBL6272264 0.82 L3MBTL1 (0.55) BCHEKDM4EMEN1KMT2AL3MBTL1
SCHEMBL6095230 0.81 BCHE (0.50) OPRK1BCHEALDH1A1KDM4EMEN1

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 OPRK1 166/4885MAPT 1412/4885BCHE 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.