SCHEMBL264955

SCHEMBL264955

CN1C(=O)COc2ccc(NCCc3ccc(C(F)(F)F)cn3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GRM4 Q14833 1/20 0.42
SYK P43405 2/20 0.39
GPR55 Q9Y2T6 1/20 0.39
HTR1A P08908 2/20 0.39
HTR2C P28335 2/20 0.39
FLT1 P17948 1/20 0.39
KDR P35968 1/20 0.39
SLC5A1 P13866 2/20 0.38
SLC5A2 P31639 2/20 0.38
DAO P14920 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
TERT O14746 1/20 0.37
HDAC1 Q13547 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
SCHEMBL265365 0.81 GABRG2 (0.42) GABRG2GABRB3GABRA5SYKDAO
SCHEMBL17315488 0.75 GRM4 (0.47) MALT1GABRG2GABRB3GABRA5GRM4
SCHEMBL264543 0.74 MAPT (0.39) FLT1KDRDAOMAPT
SCHEMBL264623 0.72 GPR55 (0.42) MALT1GABRG2GABRB3GABRA5GPR55
SCHEMBL264624 0.72 GPR55 (0.42) MALT1GABRG2GABRB3GABRA5GPR55
SCHEMBL264418 0.71 HRH3 (0.48) DAOTP53MAPT
SCHEMBL265386 0.70 DAO (0.40) GRM4DAOMAPTHDAC1HDAC8
SCHEMBL264416 0.69 DAO (0.41) DAOHDAC1HDAC8HDAC6
SCHEMBL265027 0.69 DAO (0.41) HTR2CDAOTP53MAPT
SCHEMBL13545307 0.69 GRM4 (0.52) MALT1GABRG2GABRB3GABRA5GRM4

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 MALT1 1403/4885GABRG2 498/4885GABRB3 248/4885

“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.