SCHEMBL265315

SCHEMBL265315

Cc1ccc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)C(O)c2ccccc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.41
SLC6A9 P48067 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
VNN1 O95497 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MCHR1 Q99705 1/20 0.35
OPRK1 P41145 1/20 0.35
UTS2R Q9UKP6 1/20 0.35
MDM2 Q00987 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35

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
SCHEMBL265316 1.00 TACR1 (0.41) TACR1SLC6A9MEN1KMT2AGPR55
SCHEMBL265317 1.00 TACR1 (0.41) TACR1SLC6A9MEN1KMT2AGPR55
SCHEMBL264220 0.88 MLYCD (0.38) TACR1VNN1
SCHEMBL264221 0.88 MLYCD (0.38) TACR1VNN1
SCHEMBL264509 0.88 TACR1 (0.39) TACR1SLC6A9MEN1KMT2AGPR55
SCHEMBL264510 0.88 TACR1 (0.39) TACR1SLC6A9MEN1KMT2AGPR55
SCHEMBL264511 0.88 TACR1 (0.39) TACR1SLC6A9MEN1KMT2AGPR55
SCHEMBL264378 0.85 TACR1 (0.43) TACR1SLC6A9MEN1KMT2AGPR55
SCHEMBL264380 0.85 TACR1 (0.43) TACR1SLC6A9MEN1KMT2AGPR55
SCHEMBL264379 0.85 TACR1 (0.43) TACR1SLC6A9MEN1KMT2AGPR55

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 10 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
US-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
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
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
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
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 US 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 60/4885SLC6A9 4467/4885MEN1 1019/4885

“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.