SCHEMBL620835

SCHEMBL620835

CC(C)C(=O)N1CCCC1COc1cccc([N+](=O)[O-])c1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
DPP4 P27487 3/20 0.38
ALDH1A1 P00352 1/20 0.37
ALOX5AP P20292 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
IRAK4 Q9NWZ3 3/20 0.36

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
SCHEMBL620834 1.00 KDM4E (0.40) KDM4ECYP2D6CYP2C19CHRNB4CHRNA3
SCHEMBL620640 0.90 KDM4E (0.39) KDM4ECYP2D6CYP2C19CHRNB4CHRNA3
SCHEMBL620639 0.90 KDM4E (0.39) KDM4ECYP2D6CYP2C19CHRNB4CHRNA3
SCHEMBL619025 0.89 KDM4E (0.42) KDM4ECYP2D6CYP2C19CHRNB4CHRNA3
SCHEMBL619024 0.89 KDM4E (0.42) KDM4ECYP2D6CYP2C19CHRNB4CHRNA3
SCHEMBL620438 0.88 KDM4E (0.42) KDM4ECYP2D6CYP2C19CHRNB4CHRNA3
SCHEMBL618399 0.86 KDM4E (0.42) KDM4ECYP2D6CYP2C19CHRNB4CHRNA3
SCHEMBL618400 0.86 KDM4E (0.42) KDM4ECYP2D6CYP2C19CHRNB4CHRNA3
SCHEMBL15566562 0.86 IRAK4 (0.41) KDM4ECYP2D6CYP2C19CHRNB4CHRNA3
SCHEMBL15566563 0.86 IRAK4 (0.41) KDM4ECYP2D6CYP2C19CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2603098-B1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER FIRMENICH INCORPORATED (US) 2025-08-06 EP disclosed
US-11129397-B2 Method of improving stability of sweet enhancer and composition containing stabilized sweet enhancer FIREMENICH INCORPORATED (US) 2021-09-28 US disclosed
CN-107365319-B Modulation of chemosensory receptors and ligands associated therewith 弗门尼舍公司 2020-10-27 CN disclosed
CN-106107406-B Methods of improving the stability of sweetness enhancers and compositions comprising stable sweetness enhancers 弗门尼舍公司 2020-06-09 CN disclosed
US-20190208802-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER FIRMENICH INCORPORATED 2019-07-11 US disclosed
US-10244779-B2 Method of improving stability of sweet enhancer and composition containing stabilized sweet enhancer SENOMYX, INC. (US) 2019-04-02 US 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-20150245642-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER FIRMENICH INCORPORATED 2015-09-03 US disclosed
US-9000054-B2 Method of improving stability of sweet enhancer and composition containing stabilized sweet enhancer SENOMYX, INC. (US) 2015-04-07 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-2603098-A2 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER Senomyx, Inc. (US) 2013-06-19 EP 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-20120041078-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER SENOMYX, INC. (US) 2012-02-16 US disclosed
WO-2012021837-A2 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER SENOMYX, INC. (US) 2012-02-16 WO disclosed
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC. (US) 2011-09-15 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 (7 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-10244779-B2 Method of improving stability of sweet enhancer and composition containing stabilized sweet enhancer TFEB, TREH, SLC2A8 KDM4E 476/4885CYP2D6 4715/4885CYP2C19 4759/4885
US-20120041078-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER TFEB, TREH, SLC2A8 KDM4E 476/4885CYP2D6 4715/4885CYP2C19 4759/4885
US-20150245642-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER TFEB, TREH, SLC2A8 KDM4E 476/4885CYP2D6 4715/4885CYP2C19 4759/4885
US-20140235623-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 KDM4E 4555/4885CYP2D6 3800/4885CYP2C19 4613/4885
US-11129397-B2 Method of improving stability of sweet enhancer and composition containing stabilized sweet enhancer TFEB, TREH, SLC2A8 KDM4E 476/4885CYP2D6 4715/4885CYP2C19 4759/4885
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 KDM4E 4555/4885CYP2D6 3800/4885CYP2C19 4613/4885
US-20190208802-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER TFEB, TREH, SLC2A8 KDM4E 476/4885CYP2D6 4715/4885CYP2C19 4759/4885

“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.