SCHEMBL292771

SCHEMBL292771

CCCC(CC)NC(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 15/20 0.49
TAS1R1 Q7RTX1 15/20 0.49
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP8 P22894 1/20 0.39
CA9 Q16790 1/20 0.39
HDAC7 Q8WUI4 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
HTT P42858 1/20 0.36
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL9683902 0.91 TAS1R3 (0.48) TAS1R3TAS1R1HDAC7HDAC8HDAC6
SCHEMBL292567 0.85
SCHEMBL7916905 0.85 CA1 (0.44) TAS1R3TAS1R1CA1CA2
SCHEMBL9322958 0.84 PLA2G2C (0.44) CA1CA2
SCHEMBL11805171 0.84 PLA2G2C (0.44) CA1CA2
SCHEMBL20019784 0.81 PLA2G2C (0.45) TAS1R3TAS1R1CA1CA2
SCHEMBL1065657 0.79 CA12 (0.34) TAS1R3TAS1R1CA1CA2CA12
SCHEMBL21696759 0.79 DNM1 (0.43) TAS1R3TAS1R1CA1CA2CA12
SCHEMBL29723695 0.79 CA1 (0.34) TAS1R3TAS1R1CA1CA2CA12
SCHEMBL28833130 0.79 TAS1R3 (0.41) TAS1R3TAS1R1

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
EP-4276126-A1 POLYURETHANE/UREA MATERIALS Commonwealth Scientific and Industrial Research Organisation (AU) 2023-11-15 EP disclosed
WO-2017070743-A1 POLYURETHANE/UREA MATERIALS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2017-05-04 WO disclosed
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
CN-101511799-A Cyclic amine compound DAIICHI SANKYO CO LTD (JP) 2009-08-19 CN disclosed
EP-2036896-A1 CYCLIC AMINE COMPOUND Daiichi Sankyo Company, Limited (JP) 2009-03-18 EP 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-20090286807-A1 CYCLIC AMINE COMPOUND HRH3, HRH4, H1-0 TAS1R3 2888/4885TAS1R1 2390/4885CA1 4685/4885

“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.