SCHEMBL2414580

SCHEMBL2414580

COc1ccc(COc2cccc(N)c2C#N)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
MAOB P27338 2/20 0.48
ABCB1 P08183 2/20 0.47
HTR1A P08908 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
SGMS2 Q8NHU3 1/20 0.44
APP P05067 4/20 0.43
CSF1R P07333 1/20 0.43
IDO1 P14902 2/20 0.42
AGXT P21549 2/20 0.42
ADRB2 P07550 1/20 0.42
CYP2D6 P10635 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL620721 0.86 ABCB1 (0.53) NPC1RAB9AMAOBABCB1HTR1A
SCHEMBL621853 0.84 NPC1 (0.51) NPC1RAB9AMAOBHTR1AALDH1A1
SCHEMBL188646 0.83 NPC1 (0.59) NPC1RAB9AMAOBABCB1HTR1A
SCHEMBL7978920 0.81 NPC1 (0.61) NPC1RAB9AMAOBABCB1HTR1A
SCHEMBL12358221 0.81 NPC1 (0.65) NPC1RAB9AMAOBABCB1HTR1A
SCHEMBL621074 0.79 NPC1 (0.50) NPC1RAB9AABCB1HTR1AADRA1D
SCHEMBL2420234 0.78 NPC1 (0.53) NPC1RAB9AABCB1HTR1AADRA1D
SCHEMBL621125 0.78 NPC1 (0.50) NPC1RAB9AMAOBABCB1HTR1A
SCHEMBL1154799 0.77 CD274 (0.43) NPC1RAB9AMAOBMAPTSMN1; SMN2
SCHEMBL621208 0.77 DCPS (0.46)

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107365319-B Modulation of chemosensory receptors and ligands associated therewith 弗门尼舍公司 2020-10-27 CN disclosed
EP-2573559-B1 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC (US) 2019-03-13 EP disclosed
EP-2062050-B1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC (US) 2016-05-18 EP disclosed
US-9181276-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX, INC. (US) 2015-11-10 US disclosed
US-20140235623-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2014-08-21 US disclosed
US-8633186-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC. (US) 2014-01-21 US disclosed
EP-2573559-A1 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-27 EP disclosed
EP-2568287-A2 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-13 EP disclosed
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC. (US) 2011-09-15 US disclosed
EP-2062050-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH Senomyx, Inc. (US) 2009-05-27 EP disclosed
WO-2008154221-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-18 WO 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 (2 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-20140235623-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 NPC1 2949/4885RAB9A 3040/4885MAOB 4628/4885
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 NPC1 2949/4885RAB9A 3040/4885MAOB 4628/4885

“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.