SCHEMBL8151827

SCHEMBL8151827

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 8/20 1.00
CNR2 P34972 6/20 0.41
GNRHR P30968 1/20 0.36
CNR1 P21554 1/20 0.34
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PLG P00747 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
MAPT P10636 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
SCHEMBL8166118 0.93 CACNA1B (0.87) CACNA1BCNR2GNRHRCNR1GABRG2
SCHEMBL13401166 0.91 CACNA1B (0.82) CACNA1BCNR2GNRHRCNR1F2
SCHEMBL13401155 0.89 CACNA1B (0.80) CACNA1BCNR2GNRHRCNR1
SCHEMBL13401168 0.88 CACNA1B (0.78) CACNA1BCNR2GNRHRCNR1
SCHEMBL13401153 0.86 CACNA1B (0.75) CACNA1BCNR2GNRHRCCNB2CDK1
SCHEMBL13435729 0.85 CACNA1B (0.74) CACNA1BCNR2GNRHRCNR1
SCHEMBL13401163 0.85 CACNA1B (0.74) CACNA1BCNR2GNRHRCNR1
SCHEMBL13401167 0.85 CACNA1B (0.74) CACNA1BCNR2GNRHRCNR1
SCHEMBL13401160 0.84 CACNA1B (0.72) CACNA1BCNR2GNRHRCNR1
SCHEMBL8166907 0.84 CACNA1B (0.72) CACNA1BCNR2GNRHRCNR1GABRG2

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-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
WO-2008133867-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2008-11-06 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-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.