SCHEMBL6154808

SCHEMBL6154808

COc1cc(OC2CCC(NC(=O)OC(C)(C)C)CC2)ccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 4/20 0.46
CACNB4 O00305 1/20 0.45
CACNA1A O00555 1/20 0.45
CACNA1G O43497 1/20 0.45
CACNG3 O60359 1/20 0.45
CACNA1F O60840 1/20 0.45
CACNA1H O95180 1/20 0.45
CACNB3 P54284 1/20 0.45
CACNA2D1 P54289 1/20 0.45
CACNG7 P62955 1/20 0.45
CACNA1B Q00975 1/20 0.45
CACNA1D Q01668 1/20 0.45
CACNB1 Q02641 1/20 0.45
CACNG1 Q06432 1/20 0.45
CACNB2 Q08289 1/20 0.45
CACNA1S Q13698 1/20 0.45
CACNA1C Q13936 1/20 0.45
CACNA1E Q15878 1/20 0.45
CACNA2D4 Q7Z3S7 1/20 0.45
CACNA2D3 Q8IZS8 1/20 0.45

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
SCHEMBL31515461 0.89 EPHX2 (0.48) PGRARDRD2
SCHEMBL31604723 0.86 PGR (0.46) PGRARDRD2GPR119RET
SCHEMBL6154916 0.86 KDM4D (0.47) PGRARDRD2GPR119
SCHEMBL20046662 0.86 PGR (0.62) PGRARDRD2
SCHEMBL20046695 0.86 PGR (0.62) PGRARDRD2
SCHEMBL28538027 0.86 PGR (0.62) PGRARDRD2
SCHEMBL29546606 0.86 PGR (0.62) PGRARDRD2
SCHEMBL30588163 0.84 AR (0.53) PGRAR
SCHEMBL6154460 0.83 SUV39H2 (0.47) SUV39H2DRD2RETKDM4EALDH1A1
SCHEMBL6154412 0.83 SUV39H2 (0.47) SUV39H2DRD2RETKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025108404-A1 HETEROCYCLIC COMPOUND OF BIFUNCTIONAL CHIMERA FOR TARGETED DEGRADATION OF ANDROGEN RECEPTOR AND USE THEREOF 广东东阳光药业股份有限公司 2025-05-30 WO disclosed
WO-2025108406-A1 HETEROCYCLIC COMPOUND OF BIFUNCTIONAL CHIMERA FOR TARGETED DEGRADATION OF ANDROGEN RECEPTOR, AND USE THEREOF 广东东阳光药业股份有限公司 2025-05-30 WO disclosed
WO-2025085738-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2025-04-24 WO disclosed
US-20050182040-A1 Benzamide derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-18 US disclosed
EP-1500643-A1 BENZAMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-01-26 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-20050182040-A1 Benzamide derivatives ROCK1, ROCK2, NHERF1 SUV39H2 533/4885CACNB4 2235/4885CACNA1A 792/4885

“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.