SCHEMBL18033552

SCHEMBL18033552

Cc1ccc2c(c1)C(O)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.47
NR1H2 P55055 2/20 0.46
GPR119 Q8TDV5 2/20 0.43
NAMPT P43490 2/20 0.43
HDAC1 Q13547 1/20 0.42
DDB1 Q16531 2/20 0.42
CRBN Q96SW2 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 1/20 0.41
KMT2A Q03164 2/20 0.40
EPHX2 P34913 1/20 0.39
THRB P10828 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PREP P48147 1/20 0.38
TAOK3 Q9H2K8 1/20 0.38
LMNA P02545 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
SCHEMBL16624053 0.87 ESR2 (0.60) ESR2NR1H2GPR119NAMPTHDAC1
SCHEMBL15778865 0.86 ESR2 (0.46) ESR2NR1H2NAMPTHDAC1DDB1
SCHEMBL16624069 0.85 ALDH1A1 (0.46) ESR2NR1H2GPR119NAMPTHDAC1
SCHEMBL16624036 0.83 ACACB (0.48) ESR2NR1H2NAMPTHDAC1DDB1
SCHEMBL23257707 0.83 NAMPT (0.54) ESR2NR1H2GPR119NAMPTDDB1
SCHEMBL29457612 0.83 NAMPT (0.54) ESR2NR1H2GPR119NAMPTDDB1
SCHEMBL18033554 0.82 GPR119 (0.44) ESR2NR1H2GPR119NAMPTHDAC1
SCHEMBL17585134 0.80 ACACB (0.49) ESR2NR1H2GPR119DDB1CRBN
SCHEMBL16624047 0.79 LIPE (0.48) ESR2NR1H2GPR119NAMPTHDAC1
SCHEMBL16624037 0.79 ACACB (0.41) ESR2NR1H2GPR119NAMPT

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 ESR2 3752/4885NR1H2 2325/4885GPR119 2978/4885

“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.