SCHEMBL20101597

SCHEMBL20101597

COc1cc(OCC(=O)N2C[C@@H]3CN(C(=O)c4ccc5[nH]nnc5c4)C[C@H]3C2)cc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ USP2 O75604 1/20 0.40
▸ TLR9 Q9NR96 7/20 0.40
▸ TLR8 Q9NR97 7/20 0.40
▸ TLR7 Q9NYK1 7/20 0.40
▸ HCRTR2 O43614 4/20 0.39
▸ HCRTR1 O43613 3/20 0.39
▸ ATXN2 Q99700 1/20 0.37

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
SCHEMBL17310907 0.87 TLR9 (0.42) TLR9TLR8TLR7HCRTR2HCRTR1
SCHEMBL17310911 0.87 TLR9 (0.42) TLR9TLR8TLR7HCRTR2HCRTR1
SCHEMBL20101596 0.86 CYP3A4 (0.48) TP53ALDH1A1HSD17B10USP2
SCHEMBL16963441 0.84 MEN1 (0.43) ALDH1A1USP2ATXN2
SCHEMBL21323017 0.84 MEN1 (0.43) ALDH1A1USP2ATXN2
SCHEMBL16963443 0.84 MEN1 (0.43) ALDH1A1USP2ATXN2
SCHEMBL22910859 0.82 ROCK2 (0.42) TLR9TLR8TLR7
SCHEMBL16759723 0.82 ROCK2 (0.42) TLR9TLR8TLR7
SCHEMBL17310882 0.80 HCRTR1 (0.40) ALDH1A1HCRTR2HCRTR1ATXN2
SCHEMBL16963309 0.80 RBP4 (0.42) ATXN2

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-10669268-B2 Bicyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2020-06-02 — — US disclosed
US-20180118741-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-05-03 — — US disclosed
US-20180118741-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-05-03 — — 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 (2 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-10669268-B2 Bicyclic derivatives CCNY, BICRA, UQCRB TP53 1887/4885ALDH1A1 1038/4885HSD17B10 3122/4885
US-20180118741-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB TP53 1957/4885ALDH1A1 725/4885HSD17B10 2657/4885

“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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