SCHEMBL264624

SCHEMBL264624

CN1C(=O)COc2ccc(N(CCc3ccc(C(F)(F)F)cn3)C(=O)C(O)c3ccc(F)cc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 1/20 0.42
MALT1 Q9UDY8 1/20 0.34
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
POLQ O75417 2/20 0.32
HTR1A P08908 2/20 0.32
HTR2C P28335 2/20 0.32
DAO P14920 1/20 0.32
KCNK3 O14649 1/20 0.32
SLC5A1 P13866 2/20 0.32
SLC5A2 P31639 2/20 0.32
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HDAC1 Q13547 3/20 0.31
HDAC6 Q9UBN7 3/20 0.31
HDAC8 Q9BY41 2/20 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
SCHEMBL264623 1.00 GPR55 (0.42) GPR55MALT1GABRG2GABRB3GABRA5
SCHEMBL265054 0.85 GABRG2 (0.36) GABRG2GABRB3GABRA5HCRTR1HCRTR2
SCHEMBL265055 0.85 GABRG2 (0.36) GABRG2GABRB3GABRA5HCRTR1HCRTR2
SCHEMBL265053 0.85 GABRG2 (0.36) GABRG2GABRB3GABRA5HCRTR1HCRTR2
SCHEMBL264610 0.81 TRPM8 (0.35) POLQDAOKCNK3MAPTHDAC1
SCHEMBL264611 0.81 TRPM8 (0.35) POLQDAOKCNK3MAPTHDAC1
SCHEMBL264612 0.81 TRPM8 (0.35) POLQDAOKCNK3MAPTHDAC1
SCHEMBL266187 0.79 DAO (0.36) HCRTR1HCRTR2POLQDAOHDAC1
SCHEMBL264222 0.79 DAO (0.36) HCRTR1HCRTR2POLQDAOHDAC1
SCHEMBL263920 0.79 DAO (0.36) HCRTR1HCRTR2POLQDAOHDAC1

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 7 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
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 GPR55 133/4885MALT1 1403/4885GABRG2 498/4885

“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.