SCHEMBL2414599

SCHEMBL2414599

CCCCOc1cccc(N)c1C#N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
MCHR1 Q99705 4/20 0.47
MAPT P10636 2/20 0.42
IKBKB O14920 4/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
TLR8 Q9NR97 1/20 0.40
HSD17B10 Q99714 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
PRKCD Q05655 1/20 0.39
PAK1 Q13153 1/20 0.39
CAMK2B Q13554 1/20 0.39
CAMK2G Q13555 1/20 0.39
CAMK2D Q13557 1/20 0.39
TAOK1 Q7L7X3 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL2415489 0.95 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19MCHR1MAPT
SCHEMBL17730244 0.94 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19MCHR1MAPT
SCHEMBL618316 0.92 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19MCHR1MAPT
SCHEMBL2418152 0.86 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19MCHR1MAPT
SCHEMBL2416172 0.85 ALDH1A1 (0.58) CYP1A2CYP2C9CYP2C19MAPTIKBKB
SCHEMBL4976461 0.84 HTR1B (0.42) CYP1A2CYP2C9CYP2C19MCHR1MAPT
SCHEMBL2416844 0.84 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19MAPTIKBKB
SCHEMBL3807595 0.84 NPC1 (0.44) CYP1A2CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL621145 0.83 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19MCHR1MAPT
SCHEMBL2416585 0.83 NCF1 (0.48) CYP1A2CYP2C9CYP2C19ALDH1A1LMNA

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 CYP1A2 4533/4885CYP2C9 4695/4885CYP2C19 4613/4885
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 CYP1A2 4533/4885CYP2C9 4695/4885CYP2C19 4613/4885

“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.