SCHEMBL2517606

SCHEMBL2517606

CCOC(=O)Cc1nc2cccc(OC)c2c(N)c1C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ACHE P22303 2/20 0.40
DCPS Q96C86 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CACNB4 O00305 1/20 0.40
CACNA1A O00555 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNG3 O60359 1/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNB3 P54284 1/20 0.40
CACNA2D1 P54289 1/20 0.40
CACNG7 P62955 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNA1D Q01668 1/20 0.40

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
SCHEMBL618331 0.85 GABRP (0.51) MAPTKDM4EALDH1A1SMN1; SMN2ACHE
SCHEMBL27891302 0.84 DCPS (0.44) MAPTKDM4EALDH1A1SMN1; SMN2ACHE
SCHEMBL620988 0.80 KDM4E (0.56) MAPTKDM4EALDH1A1SMN1; SMN2GABRP
SCHEMBL2515197 0.77 ALDH1A1 (0.43) MAPTKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL618941 0.76 GRK6 (0.38) MAPTKDM4EALDH1A1SMN1; SMN2ACHE
SCHEMBL618495 0.73 GABRP (0.47) MAPTKDM4EALDH1A1SMN1; SMN2GABRP
SCHEMBL621139 0.73 GABRP (0.44) MAPTKDM4EALDH1A1SMN1; SMN2ACHE
SCHEMBL619127 0.73 GABRP (0.48) MAPTKDM4EALDH1A1SMN1; SMN2CYP1A2
SCHEMBL620670 0.72 GABRP (0.48) MAPTKDM4EALDH1A1SMN1; SMN2GABRP
SCHEMBL620414 0.72 GABRP (0.46) MAPTKDM4EALDH1A1SMN1; SMN2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140128481-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. (US) 2014-05-08 US claimed
EP-2552207-A1 SWEET FLAVOR MODIFIER Senomyx, Inc. (US) 2013-02-06 EP claimed
WO-2011123693-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. (US) 2011-10-06 WO claimed
US-20110245353-A1 SWEET FLAVOR MODIFIER SENOMYS, INC. (US) 2011-10-06 US claimed
EP-2552207-B1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED (US) 2019-08-21 EP 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-9049878-B2 Sweet flavor modifier SENOMYX, INC. (US) 2015-06-09 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
EP-2552207-A1 SWEET FLAVOR MODIFIER Senomyx, Inc. (US) 2013-02-06 EP 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 (4 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-20110245353-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 MAPT 3167/4885KDM4E 1475/4885ALDH1A1 664/4885
US-20150265711-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 MAPT 3167/4885KDM4E 1475/4885ALDH1A1 664/4885
US-20140128481-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 MAPT 3167/4885KDM4E 1475/4885ALDH1A1 664/4885
US-20160251372-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 MAPT 3167/4885KDM4E 1475/4885ALDH1A1 664/4885

“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.