SCHEMBL4262863

SCHEMBL4262863

COc1ccc2c(c1)CCC2NC(=O)c1cccc(OC)c1N

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 6/20 0.59
TAS1R1 Q7RTX1 6/20 0.59
TAS1R2 Q8TE23 3/20 0.59
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TDP1 Q9NUW8 1/20 0.53
PDE10A Q9Y233 4/20 0.51
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
ADORA2A P29274 1/20 0.49
TRPV1 Q8NER1 1/20 0.48
HPGDS O60760 1/20 0.48
POLB P06746 1/20 0.48

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
Hydrochloric Acid SCHEMBL4259276 0.99 TAS1R3 (0.58) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL5270953 0.96 TAS1R3 (0.66) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL4262215 0.94 TAS1R3 (0.68) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL5270902 0.94 TAS1R3 (0.68) TAS1R3TAS1R1TAS1R2MEN1KMT2A
Hydrochloric Acid SCHEMBL4261765 0.93 TAS1R3 (0.67) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL5275903 0.81 KMT2A (0.81) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL5923948 0.81 KMT2A (0.81) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL5275894 0.81 KMT2A (0.81) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL28680182 0.79 MEN1 (0.58) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL4710772 0.77 CA12 (0.64) TAS1R3TAS1R1TAS1R2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018161-A1 METHOD FOR PROMOTING GASTROINTESTINAL FUNCTION AND METHOD FOR SCREENING FOR PROMOTER OF GASTROINTESTINAL FUNCTION AJINOMOTO CO. INC. (JP) 2009-01-15 US claimed
US-20060045953-A1 Aromatic amides and ureas and their uses as sweet and/or umami flavor modifiers, tastants and taste enhancers SENOMYX, INC. 2006-03-02 US claimed
US-20090018161-A1 METHOD FOR PROMOTING GASTROINTESTINAL FUNCTION AND METHOD FOR SCREENING FOR PROMOTER OF GASTROINTESTINAL FUNCTION AJINOMOTO CO. INC. (JP) 2009-01-15 US disclosed
US-20090018161-A1 METHOD FOR PROMOTING GASTROINTESTINAL FUNCTION AND METHOD FOR SCREENING FOR PROMOTER OF GASTROINTESTINAL FUNCTION AJINOMOTO CO. INC. (JP) 2009-01-15 US disclosed
US-20090018161-A1 METHOD FOR PROMOTING GASTROINTESTINAL FUNCTION AND METHOD FOR SCREENING FOR PROMOTER OF GASTROINTESTINAL FUNCTION AJINOMOTO CO. INC. (JP) 2009-01-15 US disclosed
US-20060045953-A1 Aromatic amides and ureas and their uses as sweet and/or umami flavor modifiers, tastants and taste enhancers SENOMYX, INC. 2006-03-02 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 (1 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-20090018161-A1 METHOD FOR PROMOTING GASTROINTESTINAL FUNCTION AND METHOD FOR SCREENING FOR PROMOTER OF GASTROINTESTINAL FUNCTION GIPR, GRPR, CCKBR TAS1R3 84/4885TAS1R1 93/4885TAS1R2 70/4885

“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.