SCHEMBL13401153

SCHEMBL13401153

CCOC(=O)C(C)(C)c1ccc2c(c1)c(C(C)COCc1ccccc1)c(-c1cc(C)cc(C)c1)n2C(=O)OC(C)(C)C

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.75
CNR2 P34972 3/20 0.36
GNRHR P30968 1/20 0.34
MDM2 Q00987 2/20 0.34
NR1H2 P55055 4/20 0.33
PPARA Q07869 1/20 0.33
MEN1 O00255 1/20 0.32
RAD52 P43351 1/20 0.32
KMT2A Q03164 1/20 0.32
TACR1 P25103 1/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
GSK3B P49841 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32

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
SCHEMBL8166074 0.92 CACNA1B (0.62) CACNA1BCNR2MEN1RAD52KMT2A
SCHEMBL8151827 0.86 CACNA1B (1.00) CACNA1BCNR2GNRHRCCNB2CDK1
SCHEMBL8166118 0.86 CACNA1B (0.87) CACNA1BCNR2GNRHRNR1H2
SCHEMBL13401166 0.84 CACNA1B (0.82) CACNA1BCNR2GNRHR
SCHEMBL13401155 0.81 CACNA1B (0.80) CACNA1BCNR2GNRHRNR1H2
SCHEMBL13401168 0.81 CACNA1B (0.78) CACNA1BCNR2GNRHRMDM2
SCHEMBL13435729 0.81 CACNA1B (0.74) CACNA1BCNR2GNRHRNR1H2
SCHEMBL13401163 0.79 CACNA1B (0.74) CACNA1BCNR2GNRHR
SCHEMBL13401167 0.79 CACNA1B (0.74) CACNA1BCNR2GNRHRNR1H2
SCHEMBL8161881 0.78 CACNA1B (0.70) CACNA1BCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME CORP. 2010-04-08 US disclosed
US-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME CORP. 2010-04-08 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-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TRPV1, CACNA1S, TRPV2 CACNA1B 13/4885CNR2 66/4885GNRHR 3303/4885

“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.