SCHEMBL264248

SCHEMBL264248

CCc1cc(N(CCc2ccc(C(F)(F)F)cn2)C(=O)C(O)c2ccc(F)cc2)ccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HCRTR1 O43613 4/20 0.35
HCRTR2 O43614 4/20 0.35
CETP P11597 3/20 0.34
DAO P14920 1/20 0.34
P2RX7 Q99572 1/20 0.34
MCHR1 Q99705 1/20 0.34
POLQ O75417 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MLYCD O95822 1/20 0.33
CNR1 P21554 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
SCHEMBL264249 1.00 MEN1 (0.36) MEN1KMT2AHCRTR1HCRTR2CETP
SCHEMBL264250 1.00 MEN1 (0.36) MEN1KMT2AHCRTR1HCRTR2CETP
SCHEMBL265362 0.93 MEN1 (0.38) MEN1KMT2AHCRTR1HCRTR2DAO
SCHEMBL265363 0.93 MEN1 (0.38) MEN1KMT2AHCRTR1HCRTR2DAO
SCHEMBL265364 0.93 MEN1 (0.38) MEN1KMT2AHCRTR1HCRTR2DAO
SCHEMBL264286 0.88 MEN1 (0.39) MEN1KMT2AHCRTR1HCRTR2DAO
SCHEMBL264285 0.88 MEN1 (0.39) MEN1KMT2AHCRTR1HCRTR2DAO
SCHEMBL264284 0.88 MEN1 (0.39) MEN1KMT2AHCRTR1HCRTR2DAO
SCHEMBL265228 0.86 DAO (0.36) MEN1KMT2AHCRTR1HCRTR2DAO
SCHEMBL265229 0.86 DAO (0.36) MEN1KMT2AHCRTR1HCRTR2DAO

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 11 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
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
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
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 MEN1 1019/4885KMT2A 762/4885HCRTR1 2/4885

“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.