SCHEMBL272360

SCHEMBL272360

CC(=O)OC(C(=O)N(CCc1ccc(C(F)(F)F)cn1)c1ccc(Cl)c(CO)c1)c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLQ O75417 4/20 0.31
MCHR1 Q99705 1/20 0.31
DAO P14920 1/20 0.31
P2RX7 Q99572 1/20 0.31
TACR3 P29371 1/20 0.31
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
CETP P11597 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL265364 0.88 MEN1 (0.38) MEN1KMT2APOLQMCHR1DAO
SCHEMBL265362 0.88 MEN1 (0.38) MEN1KMT2APOLQMCHR1DAO
SCHEMBL265363 0.88 MEN1 (0.38) MEN1KMT2APOLQMCHR1DAO
SCHEMBL272344 0.84 POLQ (0.34) KMT2APOLQMCHR1DAOHCRTR1
SCHEMBL264248 0.83 MEN1 (0.36) MEN1KMT2APOLQMCHR1DAO
SCHEMBL264250 0.83 MEN1 (0.36) MEN1KMT2APOLQMCHR1DAO
SCHEMBL264249 0.83 MEN1 (0.36) MEN1KMT2APOLQMCHR1DAO
SCHEMBL271972 0.83 KDM4E (0.38) MEN1KMT2APOLQHCRTR1HCRTR2
SCHEMBL271869 0.81 TRPM8 (0.34) POLQMCHR1DAO
SCHEMBL265228 0.80 DAO (0.36) MEN1KMT2APOLQMCHR1DAO

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 5 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
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

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 762/4885POLQ 4600/4885

“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.