SCHEMBL265101

SCHEMBL265101

O=C(C(O)c1ccccc1)N(CCc1ccc(C(F)(F)F)cc1)c1ccc2ncccc2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.41
MCHR1 Q99705 6/20 0.40
TACR1 P25103 4/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
UTS2R Q9UKP6 1/20 0.37
MET P08581 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
MDM2 Q00987 1/20 0.36
SLC6A9 P48067 1/20 0.36
PABPC1 P11940 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR55 Q9Y2T6 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
SCHEMBL265100 1.00 TRPM8 (0.41) TRPM8MCHR1TACR1ALDH1A1LMNA
SCHEMBL265131 0.89 TACR1 (0.41) MCHR1TACR1UTS2RMETMDM2
SCHEMBL265130 0.89 TACR1 (0.41) MCHR1TACR1UTS2RMETMDM2
SCHEMBL264379 0.83 TACR1 (0.43) MCHR1TACR1UTS2RSLC6A9MEN1
SCHEMBL264378 0.83 TACR1 (0.43) MCHR1TACR1UTS2RSLC6A9MEN1
SCHEMBL264380 0.83 TACR1 (0.43) MCHR1TACR1UTS2RSLC6A9MEN1
SCHEMBL265315 0.82 TACR1 (0.41) MCHR1TACR1UTS2RMDM2SLC6A9
SCHEMBL265316 0.82 TACR1 (0.41) MCHR1TACR1UTS2RMDM2SLC6A9
SCHEMBL265317 0.82 TACR1 (0.41) MCHR1TACR1UTS2RMDM2SLC6A9
SCHEMBL3647441 0.81 TACR1 (0.45) MCHR1TACR1UTS2RMDM2SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
EP-2297102-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-03-23 EP disclosed
WO-2009153180-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 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-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 TRPM8 386/4885MCHR1 23/4885TACR1 60/4885

“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.