SCHEMBL4455342

SCHEMBL4455342

COC(=O)C1Cc2cc(OC)ccc2O1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.56
GABRA1 P14867 1/20 0.54
GABRB2 P47870 1/20 0.54
MTNR1A P48039 3/20 0.53
HRH3 Q9Y5N1 1/20 0.47
TP53 P04637 3/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
ABCB1 P08183 1/20 0.43
AR P10275 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43

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
SCHEMBL29443014 1.00 GLS (0.56) GLSGABRA1GABRB2MTNR1AHRH3
SCHEMBL7289411 0.87 GLS (0.57) GLSGABRA1GABRB2MTNR1AHRH3
SCHEMBL7289417 0.87 GLS (0.57) GLSGABRA1GABRB2MTNR1AHRH3
SCHEMBL7290004 0.87 GLS (0.57) GLSGABRA1GABRB2MTNR1AHRH3
SCHEMBL12777934 0.84 POLB (0.43) GLSGABRA1GABRB2TP53MEN1
SCHEMBL13484526 0.84 MIF (0.46) GLSGABRA1GABRB2MEN1KMT2A
SCHEMBL5847705 0.82 POLB (0.42) GLSGABRA1GABRB2MTNR1AMEN1
SCHEMBL20562936 0.82 GLS (0.50) GLSGABRA1GABRB2MAPTMEN1
SCHEMBL5847871 0.82 POLB (0.42) GLSGABRA1GABRB2MTNR1AMEN1
SCHEMBL5847707 0.82 POLB (0.42) GLSGABRA1GABRB2MTNR1AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689639-B Spirolactams as ROCK inhibitors 百时美施贵宝公司 2022-02-18 CN disclosed
EP-3481817-B1 SPIROLACTAMS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP disclosed
EP-3481817-B1 SPIROLACTAMS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP disclosed
US-10696674-B2 Spirolactams as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-30 US disclosed
US-10696674-B2 Spirolactams as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-30 US disclosed
US-20190322664-A1 SPIROLACTAMS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2019-10-24 US disclosed
US-20190322664-A1 SPIROLACTAMS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2019-10-24 US disclosed
US-7524882-B2 PPAR alpha selective compounds for the treatment of dyslipidemia and other lipid disorders MERCK & CO., INC. (US) 2009-04-28 US disclosed
EP-1539136-B1 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO INC (US) 2008-07-09 EP disclosed
EP-1539136-A4 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO INC (US) 2006-10-18 EP disclosed
US-20050228044-A1 Ppar alpha selective compounds for the treatment of dyslipidemia and other lipid disorders MERCK SHARP & DOHME CORP. 2005-10-13 US disclosed
EP-1539136-A2 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS Merck & Co., Inc. (US) 2005-06-15 EP disclosed
WO-2004010936-A2 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO., INC. (US) 2004-02-05 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 (3 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-10696674-B2 Spirolactams as inhibitors of ROCK MYLK, ROCK1, MYLK2 GLS 442/4885GABRA1 3183/4885GABRB2 3902/4885
US-20050228044-A1 Ppar alpha selective compounds for the treatment of dyslipidemia and other lipid disorders PPARD, PPARA, PPARG GLS 491/4885GABRA1 500/4885GABRB2 524/4885
US-20190322664-A1 SPIROLACTAMS AS INHIBITORS OF ROCK MYLK, ROCK1, MYLK2 GLS 442/4885GABRA1 3183/4885GABRB2 3902/4885

“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.