SCHEMBL264511

SCHEMBL264511

O=C([C@@H](O)c1ccccc1)N(CCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.39
GRM4 Q14833 1/20 0.38
KCNQ3 O43525 2/20 0.38
KCNQ2 O43526 2/20 0.38
KCNE1 P15382 2/20 0.38
KCNQ1 P51787 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
TRPM8 Q7Z2W7 2/20 0.36
SLC6A9 P48067 1/20 0.36
FFAR2 O15552 1/20 0.35
MDM2 Q00987 1/20 0.35
GLP1R P43220 1/20 0.35
GCGR P47871 1/20 0.35
CETP P11597 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDPK1 O15530 1/20 0.35

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
SCHEMBL264510 1.00 TACR1 (0.39) TACR1GRM4KCNQ3KCNQ2KCNE1
SCHEMBL264509 1.00 TACR1 (0.39) TACR1GRM4KCNQ3KCNQ2KCNE1
SCHEMBL265317 0.88 TACR1 (0.41) TACR1MEN1KMT2AGPR55SLC6A9
SCHEMBL265315 0.88 TACR1 (0.41) TACR1MEN1KMT2AGPR55SLC6A9
SCHEMBL265316 0.88 TACR1 (0.41) TACR1MEN1KMT2AGPR55SLC6A9
SCHEMBL265131 0.83 TACR1 (0.41) TACR1MEN1KMT2AGPR55MDM2
SCHEMBL265130 0.83 TACR1 (0.41) TACR1MEN1KMT2AGPR55MDM2
SCHEMBL264643 0.82 GRM4 (0.42) GRM4KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL265100 0.80 TRPM8 (0.41) TACR1MEN1KMT2AGPR55TRPM8
SCHEMBL265101 0.80 TRPM8 (0.41) TACR1MEN1KMT2AGPR55TRPM8

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 TACR1 60/4885GRM4 379/4885KCNQ3 2195/4885

“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.