SCHEMBL265365

SCHEMBL265365

CN1C(=O)CCc2cc(NCCc3ccc(C(F)(F)F)cn3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
IDH1 O75874 1/20 0.41
TRIM24 O15164 4/20 0.41
BRD4 O60885 2/20 0.41
CREBBP Q92793 1/20 0.41
CYP11B1 P15538 8/20 0.40
CYP11B2 P19099 8/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP1A2 P05177 2/20 0.39
DAO P14920 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP19A1 P11511 1/20 0.39
SYK P43405 1/20 0.39
TYRO3 Q06418 1/20 0.39
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL264955 0.81 MALT1 (0.43) GABRG2GABRB3GABRA5IDH1HDAC1
SCHEMBL265452 0.78 PPARD (0.43) DAOTRPV1
SCHEMBL20419259 0.76 BRD4 (0.51) GABRG2GABRB3GABRA5IDH1TRIM24
SCHEMBL264370 0.75 DAO (0.40) DAO
SCHEMBL264543 0.74 MAPT (0.39) DAOTRPV1
SCHEMBL264418 0.74 HRH3 (0.48) CYP1A2DAO
SCHEMBL265386 0.72 DAO (0.40) HDAC1HDAC6DAO
SCHEMBL265027 0.72 DAO (0.41) CYP1A2DAO
SCHEMBL264416 0.72 DAO (0.41) HDAC1HDAC6DAO
SCHEMBL263372 0.71 P2RX7 (0.41) CYP1A2DAO

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 8 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
CN-102066325-A Heteroaromatic monoamides as orexin receptor antagonists HOFFMANN LA ROCHE 2011-05-18 CN 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 GABRG2 498/4885GABRB3 248/4885GABRA5 261/4885

“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.