Sugi Predict

Sugi Predict / Compounds / SCHEMBL264286

SCHEMBL264286

SCHEMBL264286

COc1cc(N(CCc2ccc(C(F)(F)F)cn2)C(=O)[C@@H](O)c2ccc(F)cc2)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ POLQ O75417 2/20 0.36
▸ POLB P06746 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ HCRTR1 O43613 2/20 0.34
▸ HCRTR2 O43614 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ DAO P14920 1/20 0.33
▸ LIPE Q05469 1/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ LTC4S Q16873 1/20 0.33
▸ MCHR1 Q99705 2/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ CTSA P10619 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
SCHEMBL264284 1.00 MEN1 (0.39) MEN1KMT2APOLQPOLBFFAR1
SCHEMBL264285 1.00 MEN1 (0.39) MEN1KMT2APOLQPOLBFFAR1
SCHEMBL263631 0.91 POLQ (0.37) MEN1KMT2APOLQHCRTR1HCRTR2
SCHEMBL265371 0.91 POLQ (0.37) MEN1KMT2APOLQHCRTR1HCRTR2
SCHEMBL263630 0.91 POLQ (0.37) MEN1KMT2APOLQHCRTR1HCRTR2
SCHEMBL265016 0.89 POLQ (0.36) POLQFFAR1HCRTR1HCRTR2DAO
SCHEMBL265017 0.89 POLQ (0.36) POLQFFAR1HCRTR1HCRTR2DAO
SCHEMBL265018 0.89 POLQ (0.36) POLQFFAR1HCRTR1HCRTR2DAO
SCHEMBL263901 0.89 SCD (0.36) MEN1KMT2APOLQLIPE
SCHEMBL263902 0.89 SCD (0.36) MEN1KMT2APOLQLIPE

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 claimed
JP-2011524398-A — — 2011-09-01 — — JP claimed
WO-2009153180-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 — — WO claimed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 — — US claimed
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 MEN1 1019/4885KMT2A 762/4885POLQ 4600/4885

“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.