SCHEMBL264878

SCHEMBL264878

Cc1ccc(N(CCc2ccc(C(F)(F)F)nc2)C(=O)C(O)c2cccnc2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP51A1 Q16850 6/20 0.35
RECQL P46063 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADRB3 P13945 1/20 0.34
NAMPT P43490 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PPARD Q03181 1/20 0.33
DAO P14920 1/20 0.32
EP300 Q09472 1/20 0.32

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
SCHEMBL264877 1.00 CYP51A1 (0.35) CYP51A1RECQLCYP3A4ADRB3NAMPT
SCHEMBL264642 0.91 TACR1 (0.37) CYP3A4NPC1RAB9APPARDDAO
SCHEMBL263828 0.91 TACR1 (0.37) CYP3A4NPC1RAB9APPARDDAO
SCHEMBL263829 0.91 TACR1 (0.37) CYP3A4NPC1RAB9APPARDDAO
SCHEMBL265803 0.90 CYP3A4 (0.36) CYP51A1CYP3A4ADRB3NAMPTEP300
SCHEMBL265804 0.90 CYP3A4 (0.36) CYP51A1CYP3A4ADRB3NAMPTEP300
SCHEMBL265266 0.86 DAO (0.36) PPARDDAOEP300
SCHEMBL265265 0.86 DAO (0.36) PPARDDAOEP300
SCHEMBL265835 0.84 TACR1 (0.37) CYP3A4PPARDDAOEP300
SCHEMBL265836 0.84 TACR1 (0.37) CYP3A4PPARDDAOEP300

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-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
CN-102066325-A Heteroaromatic monoamides as orexin receptor antagonists HOFFMANN LA ROCHE 2011-05-18 CN 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 CYP51A1 1662/4885RECQL 2949/4885CYP3A4 1262/4885

“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.