SCHEMBL2415489

SCHEMBL2415489

CCCCCOc1cccc(N)c1C#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MCHR1 Q99705 3/20 0.48
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADRA2A P08913 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
IKBKB O14920 6/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 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
SCHEMBL17730244 0.98 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19MCHR1MAPT
SCHEMBL2414599 0.95 CYP1A2 (0.62) CYP1A2CYP2C9CYP2C19MCHR1MAPT
SCHEMBL618316 0.90 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19MCHR1MAPT
SCHEMBL4976461 0.86 HTR1B (0.42) CYP1A2CYP2C9CYP2C19MCHR1MAPT
SCHEMBL2418152 0.84 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19MCHR1MAPT
SCHEMBL618270 0.84 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19MCHR1MAPT
SCHEMBL2416172 0.83 ALDH1A1 (0.58) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL620420 0.83 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19MAPTCYP3A4
SCHEMBL2416844 0.83 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19MAPTLMNA
SCHEMBL11566544 0.83 ALDH1A1 (0.49) CYP1A2CYP2C9CYP2C19MCHR1MAPT

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 13 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
US-4209528-A Antisecretory oxamic acid esters AMERICAN HOME PRODUCTS CORPORATION (US) 1980-06-24 US disclosed
US-4137325-A Antisecretory oxamic acid esters AMERICAN HOME PRODUCTS CORPORATION (US) 1979-01-30 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 (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.