SCHEMBL3645748

SCHEMBL3645748

Cc1ccc(N(CCc2cccc(O)c2)C(=O)C(N)c2ccccc2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 14/20 0.43
OPRM1 P35372 13/20 0.43
OPRD1 P41143 12/20 0.43
DRD2 P14416 6/20 0.43
DRD3 P35462 6/20 0.43
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
TP53 P04637 1/20 0.38
ALOX5 P09917 1/20 0.36
ANPEP P15144 1/20 0.36
ERAP2 Q6P179 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36

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
SCHEMBL3645744 1.00 OPRK1 (0.43) OPRK1OPRM1OPRD1DRD2DRD3
Hydrochloric Acid SCHEMBL3647044 0.99 OPRK1 (0.43) OPRK1OPRM1OPRD1DRD2DRD3
Hydrochloric Acid SCHEMBL3647040 0.99 OPRK1 (0.43) OPRK1OPRM1OPRD1DRD2DRD3
SCHEMBL3647176 0.91 TP53 (0.41) TP53ALOX5
SCHEMBL3647174 0.91 TP53 (0.41) TP53ALOX5
SCHEMBL3650300 0.90 TAAR1 (0.46) TP53ALOX5
SCHEMBL3650297 0.90 TAAR1 (0.46) TP53ALOX5
Hydrochloric Acid SCHEMBL3641696 0.90 TP53 (0.40) OPRM1OPRD1TP53ALOX5
Hydrochloric Acid SCHEMBL3641701 0.90 TP53 (0.40) OPRM1OPRD1TP53ALOX5
Hydrochloric Acid SCHEMBL3649086 0.89 TAAR1 (0.46) TP53ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101801918-A Monoamide derivatives as orexin receptor antagonists HOFFMANN LA ROCHE 2010-08-11 CN claimed
EP-2185503-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-05-19 EP claimed
WO-2009016087-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO claimed
US-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US claimed
CN-101801918-A Monoamide derivatives as orexin receptor antagonists HOFFMANN LA ROCHE 2010-08-11 CN disclosed
EP-2185503-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-05-19 EP disclosed
WO-2009016087-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed
US-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 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-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, MTNR1A OPRK1 70/4885OPRM1 50/4885OPRD1 33/4885

“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.