SCHEMBL31173732

SCHEMBL31173732

CC12CC(NC(=O)NCc3cccc(C#N)c3)(C1)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERCC1 P07992 1/20 0.50
▸ ERCC4 Q92889 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ NAMPT P43490 1/20 0.45
▸ ROCK2 O75116 3/20 0.45
▸ KLKB1 P03952 1/20 0.44
▸ KLK1 P06870 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ VNN1 O95497 3/20 0.44
▸ DPP8 Q6V1X1 1/20 0.43
▸ DPP9 Q86TI2 1/20 0.43
▸ GLMN Q92990 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ MCHR1 Q99705 1/20 0.42
▸ MEP1A Q16819 1/20 0.42
▸ MEP1B Q16820 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ CHRM3 P20309 1/20 0.42

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
SCHEMBL25370305 1.00 ERCC1 (0.50) ERCC1ERCC4SMN1; SMN2CNR1NAMPT
SCHEMBL25369701 0.89 ERCC1 (0.49) ERCC1ERCC4SMN1; SMN2CNR1NAMPT
SCHEMBL31173726 0.89 ERCC1 (0.49) ERCC1ERCC4SMN1; SMN2CNR1NAMPT
SCHEMBL25372468 0.85 ERCC1 (0.46) ERCC1ERCC4SMN1; SMN2CNR1NAMPT
SCHEMBL30580154 0.85 ERCC1 (0.46) ERCC1ERCC4SMN1; SMN2CNR1NAMPT
SCHEMBL25369595 0.85 ERCC1 (0.46) ERCC1ERCC4SMN1; SMN2CNR1NAMPT
SCHEMBL30580137 0.85 ERCC1 (0.46) ERCC1ERCC4SMN1; SMN2CNR1NAMPT
SCHEMBL26051521 0.82 EPHX2 (0.46) ERCC1ERCC4SMN1; SMN2CNR1NAMPT
SCHEMBL13853501 0.81 ERCC1 (0.56) ERCC1ERCC4SMN1; SMN2CNR1NAMPT
SCHEMBL25369559 0.79 CYP3A4 (0.54) SMN1; SMN2

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-20250002452-A1 BICYCLOPENTANE DERIVATIVES ANGELINI PHARMA S.P.A. (IT) 2025-01-02 — — US claimed
US-20250002452-A1 BICYCLOPENTANE DERIVATIVES ANGELINI PHARMA S.P.A. (IT) 2025-01-02 — — US disclosed
CN-118829626-A Novel dicyclopentane derivatives 伊卡根有限责任公司 2024-10-22 — — CN 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-20250002452-A1 BICYCLOPENTANE DERIVATIVES BICRA, C1R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ERCC1 865/4885ERCC4 932/4885SMN1; SMN2 3372/4885

“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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