SCHEMBL618358

SCHEMBL618358

CCCC(=O)NC(C)(C)COc1cccc(N)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SSTR4 P31391 8/20 0.36
MAPK8 P45983 6/20 0.35
MAPK9 P45984 6/20 0.35
MAPK10 P53779 2/20 0.35
RPS27 P42677 1/20 0.34

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
SCHEMBL620176 0.84 RAB9A (0.41) ALDH1A1KDM4ENPC1TP53RAB9A
SCHEMBL15990253 0.84 AAK1 (0.41) ALDH1A1KDM4ENPC1TP53RAB9A
SCHEMBL621530 0.84 ALDH1A1 (0.41) CYP1A2CYP3A4ALDH1A1KDM4ERAB9A
SCHEMBL621829 0.83 BRAF (0.37) CYP1A2CYP3A4CYP2C9CYP2C19ADORA2A
SCHEMBL621945 0.82 POLB (0.45) CYP2C9ALDH1A1KDM4ENPC1TP53
SCHEMBL3807776 0.79 CYP1A2 (0.35) CYP1A2CYP3A4CYP2C9CYP2C19ADORA2A
SCHEMBL15954565 0.79 CSF1R (0.38) CYP1A2CYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL620340 0.78 CTSS (0.44) SMN1; SMN2
SCHEMBL617938 0.78 SSTR4 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL12219488 0.78 SSTR4 (0.40) CYP2C9ALDH1A1KDM4ENPC1TP53

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 CYP1A2 4854/4885CYP3A4 4665/4885CYP2C9 4831/4885
US-20120041078-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER TFEB, TREH, SLC2A8 CYP1A2 4854/4885CYP3A4 4665/4885CYP2C9 4831/4885
US-20150245642-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER TFEB, TREH, SLC2A8 CYP1A2 4854/4885CYP3A4 4665/4885CYP2C9 4831/4885
US-20140235623-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 CYP1A2 4533/4885CYP3A4 3308/4885CYP2C9 4695/4885
US-11129397-B2 Method of improving stability of sweet enhancer and composition containing stabilized sweet enhancer TFEB, TREH, SLC2A8 CYP1A2 4854/4885CYP3A4 4665/4885CYP2C9 4831/4885
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 CYP1A2 4533/4885CYP3A4 3308/4885CYP2C9 4695/4885
US-20190208802-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER TFEB, TREH, SLC2A8 CYP1A2 4854/4885CYP3A4 4665/4885CYP2C9 4831/4885

“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.