SCHEMBL16624037

SCHEMBL16624037

CC(C)COc1ccc2c(c1)C(O)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.41
ESR2 Q92731 1/20 0.41
NR1H2 P55055 1/20 0.40
MGLL Q99685 1/20 0.40
ABHD6 Q9BV23 1/20 0.40
NAMPT P43490 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
PTPN1 P18031 1/20 0.38

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
SCHEMBL18033554 0.88 GPR119 (0.44) ACACBESR2NR1H2NAMPTGPR119
SCHEMBL16624036 0.87 ACACB (0.48) ACACBESR2NR1H2ABHD6NAMPT
SCHEMBL16624047 0.85 LIPE (0.48) ACACBESR2NR1H2MGLLABHD6
SCHEMBL16624117 0.85 ACACB (0.51) ACACBABHD6
SCHEMBL16624069 0.84 ALDH1A1 (0.46) ESR2NR1H2ABHD6NAMPTGPR119
SCHEMBL17965643 0.84 GPR119 (0.48) ACACBESR2NR1H2NAMPTGPR119
SCHEMBL17583895 0.83 YAP1 (0.47) NAMPTGPR119
SCHEMBL17585135 0.83 ACACB (0.52) ACACBABHD6
SCHEMBL17585133 0.82 ACACB (0.53) ACACB
SCHEMBL17585134 0.80 ACACB (0.49) ACACBESR2NR1H2GPR119

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 4 patents. 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
US-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-18 US disclosed
EP-3053917-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nissan Chemical Industries, Ltd. (JP) 2016-08-10 EP disclosed
WO-2015050212-A1 T-TYPE CALCIUM CHANNEL BLOCKER 日産化学工業株式会社 2015-04-09 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 (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 ACACB 3962/4885ESR2 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.