SCHEMBL265823

SCHEMBL265823

CC(=O)O[C@H](C(=O)N(CCc1ccc(C(F)(F)F)nc1)c1ccc2c(c1)OCCO2)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.38
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
TSHR P16473 3/20 0.36
EP300 Q09472 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TACR1 P25103 1/20 0.35
USP9X Q93008 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
FNIP1 Q8TF40 1/20 0.34
FEM1B Q9UK73 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
JAK2 O60674 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SCN5A Q14524 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
SCHEMBL2639828 0.89 BDKRB1 (0.34) TRPV1TSHREP300ALDH1A1TACR1
SCHEMBL266999 0.88 TRPV1 (0.41) TRPV1PTGESALOX5TSHREP300
SCHEMBL267001 0.88 TRPV1 (0.41) TRPV1PTGESALOX5TSHREP300
SCHEMBL265039 0.84 GPBAR1 (0.35) EP300ALDH1A1TACR1KCNH2
SCHEMBL264548 0.80 HSD17B10 (0.33) EP300TACR1SCN5ASCN9AKCNH2
SCHEMBL272261 0.78 TRPV1 (0.35) TRPV1ALDH1A1KMT2AMEN1HTT
SCHEMBL1423930 0.78 BDKRB1 (0.32)
SCHEMBL271723 0.78 CYP3A4 (0.36) TRPV1ALDH1A1KMT2AMEN1KCNH2
Acetic Acid SCHEMBL2639824 0.78 BDKRB1 (0.35) TRPV1TSHREP300ALDH1A1TACR1
SCHEMBL265378 0.77 MEN1 (0.37) TSHREP300ALDH1A1TACR1KMT2A

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 6 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

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 TRPV1 208/4885PTGES 3147/4885ALOX5 1551/4885

“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.