SCHEMBL18033554

SCHEMBL18033554

CCOc1ccc2c(c1)C(O)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.44
ESR2 Q92731 1/20 0.43
NR1H2 P55055 1/20 0.42
NAMPT P43490 1/20 0.42
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MMP13 P45452 1/20 0.40
HDAC8 Q9BY41 3/20 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
SCHEMBL16624037 0.88 ACACB (0.41) GPR119ESR2NR1H2NAMPTACACB
SCHEMBL16624047 0.88 LIPE (0.48) GPR119ESR2NR1H2NAMPTHDAC8
SCHEMBL16624117 0.88 ACACB (0.51) ACACB
SCHEMBL16624069 0.87 ALDH1A1 (0.46) GPR119ESR2NR1H2NAMPTMEN1
SCHEMBL17965643 0.87 GPR119 (0.48) GPR119ESR2NR1H2NAMPTMEN1
SCHEMBL17583895 0.86 YAP1 (0.47) GPR119NAMPTMAPK1HDAC8
SCHEMBL17585135 0.86 ACACB (0.52) ACACB
SCHEMBL16624036 0.85 ACACB (0.48) ESR2NR1H2NAMPTALDH1A1MAPT
SCHEMBL17585133 0.84 ACACB (0.53) ACACB
SCHEMBL17585134 0.82 ACACB (0.49) GPR119ESR2NR1H2ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-18 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-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1I, CACNA1G, CACNA1H GPR119 2978/4885ESR2 3752/4885NR1H2 2325/4885

“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.