SCHEMBL265054

SCHEMBL265054

CN1C(=O)CCc2cc(N(CCc3ccc(C(F)(F)F)cn3)C(=O)[C@H](O)c3ccc(F)cc3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
HDAC6 Q9UBN7 4/20 0.36
CYP11B1 P15538 6/20 0.35
CYP11B2 P19099 6/20 0.35
RIPK1 Q13546 1/20 0.35
HDAC1 Q13547 3/20 0.34
TMEM97 Q5BJF2 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
PRLHR P49683 2/20 0.34
POLQ O75417 2/20 0.33
DAO P14920 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32

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
SCHEMBL265053 1.00 GABRG2 (0.36) GABRG2GABRB3GABRA5HDAC6CYP11B1
SCHEMBL265055 1.00 GABRG2 (0.36) GABRG2GABRB3GABRA5HDAC6CYP11B1
SCHEMBL264623 0.85 GPR55 (0.42) GABRG2GABRB3GABRA5HDAC6HDAC1
SCHEMBL264624 0.85 GPR55 (0.42) GABRG2GABRB3GABRA5HDAC6HDAC1
SCHEMBL263872 0.84 DAO (0.37) HCRTR1HCRTR2POLQDAO
SCHEMBL263871 0.84 DAO (0.37) HCRTR1HCRTR2POLQDAO
SCHEMBL265086 0.84 DAO (0.37) HCRTR1HCRTR2POLQDAO
SCHEMBL264611 0.81 TRPM8 (0.35) HDAC6HDAC1POLQDAOHDAC8
SCHEMBL264612 0.81 TRPM8 (0.35) HDAC6HDAC1POLQDAOHDAC8
SCHEMBL264610 0.81 TRPM8 (0.35) HDAC6HDAC1POLQDAOHDAC8

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 2 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-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.