SCHEMBL29873199

SCHEMBL29873199

COc1ccc(Cn2nc(OC(F)F)c3cc(O[C@H]4CC[C@H](NC(=O)OC(C)(C)C)CC4)cnc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 2/20 0.39
▸ CACNB4 O00305 1/20 0.39
▸ CACNA1A O00555 1/20 0.39
▸ CACNA1G O43497 1/20 0.39
▸ CACNG3 O60359 1/20 0.39
▸ CACNA1F O60840 1/20 0.39
▸ CACNA1H O95180 1/20 0.39
▸ CACNB3 P54284 1/20 0.39
▸ CACNA2D1 P54289 1/20 0.39
▸ CACNG7 P62955 1/20 0.39
▸ CACNA1D Q01668 1/20 0.39
▸ CACNB1 Q02641 1/20 0.39
▸ CACNG1 Q06432 1/20 0.39
▸ CACNB2 Q08289 1/20 0.39
▸ CACNA1S Q13698 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ CACNA1E Q15878 1/20 0.39
▸ CACNA2D4 Q7Z3S7 1/20 0.39
▸ CACNA2D3 Q8IZS8 1/20 0.39
▸ CACNG8 Q8WXS5 1/20 0.39

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
SCHEMBL29872989 0.83 BUB1 (0.40) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL23069175 0.74 CNR1 (0.43) CNR2CNR1ALDH1A1
SCHEMBL29873478 0.74 CNR1 (0.43) CNR2CNR1ALDH1A1
SCHEMBL29872986 0.73 CNR2 (0.45) CNR2CNR1ALDH1A1
SCHEMBL29873410 0.73 PDE1B (0.43) CNR2CNR1CDK2KMT2AALDH1A1
SCHEMBL29872618 0.73 CNR1 (0.39) CNR2CNR1BTKALDH1A1
SCHEMBL29872711 0.73 ACACB (0.33) PIK3CABUB1PIK3CD
SCHEMBL1593855 0.72 PTGDR2 (0.44) CACNA1HCNR2CNR1AAK1KMT2A
SCHEMBL1593157 0.72 MEN1 (0.44) CACNA1HCNR2CNR1AAK1PDE4B
SCHEMBL23069164 0.71 PDE1B (0.50) CNR2CNR1ALDH1A1

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-20220306640-A1 HYDANTOIN DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2022-09-29 — — 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-20220306640-A1 HYDANTOIN DERIVATIVE DDR1, DDR2, DDRGK1 CACNA1B 2835/4885CACNB4 4151/4885CACNA1A 4213/4885

“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.

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