SCHEMBL293526

SCHEMBL293526

CCCCC(C)NC([NH])=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
TAS1R2 Q8TE23 1/20 0.53
EPHX1 P07099 1/20 0.41
DPP8 Q6V1X1 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
MLYCD O95822 1/20 0.41
SLC15A1 P46059 1/20 0.40
CA2 P00918 5/20 0.39
CA1 P00915 4/20 0.39
MAPK1 P28482 2/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
MEN1 O00255 1/20 0.39
FAAH O00519 1/20 0.39
KMT2A Q03164 1/20 0.39
DPP4 P27487 1/20 0.39

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
SCHEMBL9705332 0.92 ADH1B (0.50) TAS1R3TAS1R1TAS1R2EPHX1MLYCD
SCHEMBL292611 0.86
SCHEMBL9555391 0.83 BLM (0.41) TAS1R3TAS1R1TAS1R2MLYCDCA1
SCHEMBL15961910 0.81 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2EPHX1DPP8
SCHEMBL7963349 0.80 PLA2G2C (0.49) TAS1R3TAS1R1DPP8DPP7SLC15A1
SCHEMBL1388249 0.80 TAS1R3 (0.50) TAS1R3TAS1R1TAS1R2DPP8DPP7
SCHEMBL2760205 0.80 TAS1R3 (0.50) TAS1R3TAS1R1TAS1R2DPP8DPP7
SCHEMBL1300172 0.80 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2DPP8DPP7
SCHEMBL15961734 0.79 TAS1R3 (0.50) TAS1R3TAS1R1TAS1R2EPHX1DPP8
SCHEMBL10823194 0.78 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2DPP8DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158790-B2 Cyclic amine compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-04-17 US disclosed
EP-2036896-B1 CYCLIC AMINE COMPOUND DAIICHI SANKYO CO LTD (JP) 2012-03-14 EP disclosed
US-20090286807-A1 CYCLIC AMINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-11-19 US disclosed
EP-2036896-A1 CYCLIC AMINE COMPOUND Daiichi Sankyo Company, Limited (JP) 2009-03-18 EP disclosed
US-20070299130-A1 Benzopyran Compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-12-27 US disclosed
EP-1718629-A2 BENZOPYRAN COMPOUNDS USEFUL FOR THE TREATMENT OF ARRHYTMIA Nissan Chemical Industries, Ltd. (JP) 2006-11-08 EP disclosed
WO-2005080368-A2 BENZOPYRAN COMPOUND USEFUL FOR THE TREATMENT OF ARRHYTMIA NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-01 WO 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 (2 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-20070299130-A1 Benzopyran Compound NR0B1, CYP2B6, RYR2 TAS1R3 2499/4885TAS1R1 3104/4885TAS1R2 3358/4885
US-20090286807-A1 CYCLIC AMINE COMPOUND HRH3, HRH4, H1-0 TAS1R3 2888/4885TAS1R1 2390/4885TAS1R2 2781/4885

“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.