SCHEMBL264115

SCHEMBL264115

COc1ccc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)[C@H](N)c2ccccc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.39
OXTR P30559 8/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
LIPE Q05469 2/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
AVPR1A P37288 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
MRGPRX4 Q96LA9 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
SCHEMBL264114 1.00 TACR1 (0.39) TACR1OXTRNPC1MAPTTRPM8
SCHEMBL264116 1.00 TACR1 (0.39) TACR1OXTRNPC1MAPTTRPM8
SCHEMBL1581627 0.90 TACR1 (0.40) TACR1OXTRNPC1MAPTTRPM8
SCHEMBL265201 0.89 TSHR (0.39) OXTRNPC1MAPTTRPM8LIPE
SCHEMBL265202 0.89 TSHR (0.39) OXTRNPC1MAPTTRPM8LIPE
SCHEMBL265200 0.89 TSHR (0.39) OXTRNPC1MAPTTRPM8LIPE
SCHEMBL8178945 0.88 TACR1 (0.39) TACR1OXTRNPC1MAPTTRPM8
SCHEMBL265565 0.88 TACR1 (0.40) TACR1TRPM8KMT2A
SCHEMBL265564 0.88 TACR1 (0.40) TACR1TRPM8KMT2A
SCHEMBL265563 0.88 TACR1 (0.40) TACR1TRPM8KMT2A

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
US-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US claimed
JP-2011524398-A 2011-09-01 JP claimed
EP-2297102-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-03-23 EP claimed
WO-2009153180-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO claimed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 US claimed
US-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US 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 TACR1 60/4885OXTR 9/4885NPC1 1723/4885

“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.