SCHEMBL621540

SCHEMBL621540

COc1cccc(-c2cccc(N)c2C#N)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.56
ADORA2A P29274 5/20 0.56
ADORA2B P29275 2/20 0.56
TP53 P04637 1/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
KDM4E B2RXH2 3/20 0.54
RXFP1 Q9HBX9 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PDCD1 Q15116 1/20 0.52
CD274 Q9NZQ7 1/20 0.52
MAPT P10636 1/20 0.51
GLA P06280 1/20 0.51
GRM2 Q14416 1/20 0.49
SQOR Q9Y6N5 1/20 0.48
TDO2 P48775 1/20 0.48
BTK Q06187 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL7573051 0.85 ADORA2A (0.55) ADORA1ADORA2AADORA2BTP53HPGD
SCHEMBL396757 0.80 TDO2 (0.55) ADORA1ADORA2AKDM4EMAPTTDO2
SCHEMBL30785681 0.80 TDO2 (0.55) ADORA1ADORA2AKDM4EMAPTTDO2
SCHEMBL25060006 0.79 ADORA2A (0.54) ADORA1ADORA2AADORA2BTP53HPGD
SCHEMBL3490386 0.79 TDO2 (0.54) ADORA1ADORA2AKDM4EMAPTTDO2
SCHEMBL7018556 0.78 ADORA2A (0.52) ADORA1ADORA2AADORA2BTP53HPGD
SCHEMBL1982690 0.78 PRKCZ (0.65) ADORA1ADORA2AADORA2BTP53HPGD
SCHEMBL24017185 0.78 TP53 (0.48) ADORA1ADORA2AADORA2BTP53HPGD
SCHEMBL1502535 0.77 ALDH1A1 (0.56) ADORA1ADORA2AHPGDKDM4ENPSR1
SCHEMBL9469502 0.76 ALDH1A1 (0.57) ADORA1ADORA2AADORA2BTP53HPGD

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
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
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-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-2012021837-A2 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER SENOMYX, INC. (US) 2012-02-16 WO 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 ADORA1 4607/4885ADORA2A 4470/4885ADORA2B 4235/4885
US-20120041078-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER TFEB, TREH, SLC2A8 ADORA1 4607/4885ADORA2A 4470/4885ADORA2B 4235/4885
US-20150245642-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER TFEB, TREH, SLC2A8 ADORA1 4607/4885ADORA2A 4470/4885ADORA2B 4235/4885
US-20110245353-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 ADORA1 3747/4885ADORA2A 4679/4885ADORA2B 3632/4885
US-20150265711-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 ADORA1 3747/4885ADORA2A 4679/4885ADORA2B 3632/4885
US-20140128481-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 ADORA1 3747/4885ADORA2A 4679/4885ADORA2B 3632/4885
US-11129397-B2 Method of improving stability of sweet enhancer and composition containing stabilized sweet enhancer TFEB, TREH, SLC2A8 ADORA1 4607/4885ADORA2A 4470/4885ADORA2B 4235/4885
US-20190208802-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER TFEB, TREH, SLC2A8 ADORA1 4607/4885ADORA2A 4470/4885ADORA2B 4235/4885
US-20160251372-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 ADORA1 3747/4885ADORA2A 4679/4885ADORA2B 3632/4885

“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.