SCHEMBL264630

SCHEMBL264630

O=C([C@@H](O)c1ccc(F)cc1)N(CCc1ccc(C(F)(F)F)cn1)c1ccc(C2CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLQ O75417 4/20 0.37
ACACB O00763 2/20 0.36
PPARD Q03181 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
TACR1 P25103 4/20 0.34
DAO P14920 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34
SLC6A9 P48067 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL264628 1.00 POLQ (0.37) POLQACACBPPARDHCRTR1HCRTR2
SCHEMBL264629 1.00 POLQ (0.37) POLQACACBPPARDHCRTR1HCRTR2
SCHEMBL264981 0.87 PANK3 (0.39) POLQHCRTR1HCRTR2DAOMCHR1
SCHEMBL264979 0.87 PANK3 (0.39) POLQHCRTR1HCRTR2DAOMCHR1
SCHEMBL264980 0.87 PANK3 (0.39) POLQHCRTR1HCRTR2DAOMCHR1
SCHEMBL264230 0.85 ALDH1A1 (0.36) POLQHCRTR1HCRTR2DAOMCHR1
SCHEMBL264232 0.85 ALDH1A1 (0.36) POLQHCRTR1HCRTR2DAOMCHR1
SCHEMBL272337 0.85 DAO (0.35) POLQHCRTR1HCRTR2DAOKCNH2
SCHEMBL264231 0.85 ALDH1A1 (0.36) POLQHCRTR1HCRTR2DAOMCHR1
SCHEMBL265924 0.84 POLQ (0.37) POLQDAO

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 4 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
EP-2297102-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-03-23 EP 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

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 POLQ 4600/4885ACACB 3350/4885PPARD 1003/4885

“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.