SCHEMBL17965643

SCHEMBL17965643

CC(C)(C)OC(=O)N1Cc2ccc(OCC#N)cc2C(O)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.48
ACACB O00763 6/20 0.41
ESR2 Q92731 1/20 0.40
NR1H2 P55055 1/20 0.39
NAMPT P43490 1/20 0.39
GPER1 Q99527 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 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
SCHEMBL18033554 0.87 GPR119 (0.44) GPR119ACACBESR2NR1H2NAMPT
SCHEMBL17965640 0.85 ACACB (0.42) ACACBGPER1ALDH1A1
SCHEMBL16624117 0.84 ACACB (0.51) ACACB
SCHEMBL16624047 0.84 LIPE (0.48) GPR119ACACBESR2NR1H2NAMPT
SCHEMBL16624037 0.84 ACACB (0.41) GPR119ACACBESR2NR1H2NAMPT
SCHEMBL16624069 0.83 ALDH1A1 (0.46) GPR119ESR2NR1H2NAMPTMEN1
SCHEMBL17585135 0.82 ACACB (0.52) ACACB
SCHEMBL17583895 0.82 YAP1 (0.47) GPR119NAMPTHDAC8
SCHEMBL16624036 0.81 ACACB (0.48) ACACBESR2NR1H2NAMPTALDH1A1
SCHEMBL17585133 0.81 ACACB (0.53) ACACB

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 3 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

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 2978/4885ACACB 3962/4885ESR2 3752/4885

“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.