SCHEMBL271869

SCHEMBL271869

CC(=O)OC(C(=O)N(CCc1ccc(C(F)(F)F)cn1)c1ccc2c(c1)CCO2)c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.34
NR3C1 P04150 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
KCNH2 Q12809 2/20 0.32
MAPK14 Q16539 1/20 0.31
CXCR3 P49682 1/20 0.31
MAPT P10636 2/20 0.31
FFAR1 O14842 1/20 0.31
OGA O60502 2/20 0.31
MDM2 Q00987 1/20 0.31

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
SCHEMBL264612 0.89 TRPM8 (0.35) TRPM8NR3C1HDAC3HDAC4HDAC1
SCHEMBL264610 0.89 TRPM8 (0.35) TRPM8NR3C1HDAC3HDAC4HDAC1
SCHEMBL264611 0.89 TRPM8 (0.35) TRPM8NR3C1HDAC3HDAC4HDAC1
SCHEMBL272344 0.83 POLQ (0.34) POLQMCHR1DAO
SCHEMBL272360 0.81 MEN1 (0.35) POLQMCHR1DAO
SCHEMBL271972 0.81 KDM4E (0.38) HDAC1HDAC8HDAC6POLQ
SCHEMBL265649 0.78 TACR1 (0.37) TRPM8MCHR1NPC1RAB9A
SCHEMBL271721 0.77 NR3C1 (0.36) NR3C1HDAC1HDAC8HDAC6OGA
SCHEMBL265086 0.76 DAO (0.37) KCNH2POLQMCHR1DAONPC1
SCHEMBL263872 0.76 DAO (0.37) KCNH2POLQMCHR1DAONPC1

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 TRPM8 386/4885NR3C1 206/4885HDAC3 340/4885

“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.