SCHEMBL4149240

SCHEMBL4149240

COc1cccc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)[C@H](N)c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.43
TACR1 P25103 3/20 0.42
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
ACHE P22303 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
UTS2R Q9UKP6 1/20 0.39
GHSR Q92847 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CASR P41180 2/20 0.39
CETP P11597 1/20 0.39
OPRM1 P35372 1/20 0.38

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
SCHEMBL3644405 1.00 OPRK1 (0.43) OPRK1TACR1MTNR1AMTNR1BACHE
SCHEMBL3647012 1.00 OPRK1 (0.43) OPRK1TACR1MTNR1AMTNR1BACHE
SCHEMBL8074757 0.93 OPRK1 (0.40) OPRK1LTB4R2UTS2RKDM4EMEN1
SCHEMBL3646294 0.92 OPRK1 (0.39) OPRK1TACR1MTNR1AMTNR1BACHE
SCHEMBL3646791 0.90 TACR1 (0.40) TACR1UTS2RMEN1KMT2ACETP
SCHEMBL4155687 0.90 CETP (0.47) TACR1UTS2RCETP
SCHEMBL1581059 0.90 TACR1 (0.44) OPRK1TACR1MTNR1AMTNR1BACHE
SCHEMBL3642140 0.89 CHRM5 (0.45) TACR1MEN1KMT2ACHRM5CHRM1
SCHEMBL3648262 0.89 LTB4R2 (0.39) OPRK1MTNR1AMTNR1BACHELTB4R2
SCHEMBL3645140 0.89 ALDH1A1 (0.44) TACR1KDM4EMEN1KMT2ACHRM5

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
US-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US 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 70/4885TACR1 78/4885MTNR1A 3/4885

“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.