SCHEMBL618471

SCHEMBL618471

CC(C)C(N)COc1cccc(N)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
NFKB1 P19838 1/20 0.46
THPO P40225 1/20 0.46
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
XDH P47989 2/20 0.35
AAK1 Q2M2I8 2/20 0.34
ALDH1A1 P00352 1/20 0.34
IKBKB O14920 2/20 0.34
CASR P41180 3/20 0.33
MAPK8 P45983 2/20 0.33
PRKD3 O94806 1/20 0.33
MCHR1 Q99705 1/20 0.33
ADRB2 P07550 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL618470 1.00 SCN4A (0.46) SCN4ACYP2D6CYP3A4CYP1A2NFKB1
SCHEMBL620061 0.88 SCN4A (0.44) SCN4ACYP2D6CYP3A4CYP1A2NFKB1
SCHEMBL619076 0.88 SCN4A (0.44) SCN4ACYP2D6CYP3A4CYP1A2NFKB1
SCHEMBL619077 0.88 SCN4A (0.44) SCN4ACYP2D6CYP3A4CYP1A2NFKB1
SCHEMBL620764 0.86 ALDH1A1 (0.42) NPC1RAB9AXDHALDH1A1IKBKB
SCHEMBL4468812 0.82 ALDH1A1 (0.38) SCN4ACYP2D6CYP3A4CYP1A2NPC1
SCHEMBL617976 0.82 ALDH1A1 (0.38) SCN4ACYP2D6CYP3A4CYP1A2NPC1
SCHEMBL617975 0.82 ALDH1A1 (0.38) SCN4ACYP2D6CYP3A4CYP1A2NPC1
SCHEMBL620560 0.81 ALDH1A1 (0.39) CYP2D6CYP1A2NFKB1NPC1RAB9A
SCHEMBL2416172 0.78 ALDH1A1 (0.58) CYP3A4CYP1A2NPC1RAB9AALDH1A1

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 20 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-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
EP-2552207-B1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED (US) 2019-08-21 EP 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
US-9902737-B2 Sweet flavor modifier SENOMYX, INC. (US) 2018-02-27 US disclosed
US-20160251372-A1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED 2016-09-01 US disclosed
US-20150265711-A1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED 2015-09-24 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-9049878-B2 Sweet flavor modifier SENOMYX, INC. (US) 2015-06-09 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-20140128481-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. (US) 2014-05-08 US disclosed
US-8592592-B2 Sweet flavor modifier SENOMYX, INC. (US) 2013-11-26 US disclosed
CN-103153096-A Methods of improving the stability of sweetness enhancers and compositions comprising stable sweetness enhancers SENOMYX INC 2013-06-12 CN disclosed
CN-102933081-A Sweet flavor modifier SENOMYX INC 2013-02-13 CN disclosed
EP-2552207-A1 SWEET FLAVOR MODIFIER Senomyx, Inc. (US) 2013-02-06 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-2011123693-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. (US) 2011-10-06 WO disclosed
US-20110245353-A1 SWEET FLAVOR MODIFIER SENOMYS, INC. (US) 2011-10-06 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 (9 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 SCN4A 2995/4885CYP2D6 4715/4885CYP3A4 4665/4885
US-20120041078-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER TFEB, TREH, SLC2A8 SCN4A 2995/4885CYP2D6 4715/4885CYP3A4 4665/4885
US-20150245642-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER TFEB, TREH, SLC2A8 SCN4A 2995/4885CYP2D6 4715/4885CYP3A4 4665/4885
US-20110245353-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 SCN4A 571/4885CYP2D6 1064/4885CYP3A4 1124/4885
US-20150265711-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 SCN4A 571/4885CYP2D6 1064/4885CYP3A4 1124/4885
US-20140128481-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 SCN4A 571/4885CYP2D6 1064/4885CYP3A4 1124/4885
US-11129397-B2 Method of improving stability of sweet enhancer and composition containing stabilized sweet enhancer TFEB, TREH, SLC2A8 SCN4A 2995/4885CYP2D6 4715/4885CYP3A4 4665/4885
US-20190208802-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER TFEB, TREH, SLC2A8 SCN4A 2995/4885CYP2D6 4715/4885CYP3A4 4665/4885
US-20160251372-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 SCN4A 571/4885CYP2D6 1064/4885CYP3A4 1124/4885

“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.