SCHEMBL550435

SCHEMBL550435

NC(=O)CCc1nnn[nH]1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.35

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
SCHEMBL10678782 0.89 TBXAS1 (0.33) CAPN1
SCHEMBL8465150 0.87 TBXAS1 (0.36)
SCHEMBL6532553 0.87 TBXAS1 (0.36)
SCHEMBL2704416 0.82 CHRM1 (0.39)
SCHEMBL806181 0.79
SCHEMBL4811573 0.76 TSHR (0.41)
SCHEMBL18839751 0.76 LMNA (0.35)
SCHEMBL4671779 0.75
SCHEMBL1650867 0.74 TBXAS1 (0.41)
SCHEMBL1260251 0.74 CYP2C9 (0.35)

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170876-A2 PHARMACEUTICAL COMPOSITION FOR PREVENTINTION AND TREATMENT OF RESTENOSIS COMPRISING ISOXAZOLE DERIVATIVES SK Holdings Co., Ltd. (KR) 2010-04-07 EP claimed
WO-2009005269-A2 PHARMACEUTICAL COMPOSITION FOR PREVENTINTION AND TREATMENT OF RESTENOSIS COMPRISING ISOXAZOLE DERIVATIVES SK HOLDINGS CO., LTD. (KR) 2009-01-08 WO claimed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP claimed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO claimed
US-11365199-B2 Pyrazole compounds as modulators of FSHR and uses thereof MERCK PATENT GMBH (DE) 2022-06-21 US disclosed
EP-3013832-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed
US-20180354965-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2018-12-13 US disclosed
US-9839642-B2 Beta-tetrazolyl-propionic acids as metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
US-20170173035-A1 BETA-TETRAZOLYL-PROPIONIC ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-06-22 US disclosed
EP-3139918-A1 BETA-TETRAZOLYL-PROPIONIC ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-03-15 EP disclosed
WO-2015171474-A1 BETA-TETRAZOLYL-PROPIONIC ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-11-12 WO disclosed
EP-2397477-B1 Heterocyclic-substituted piperidine compounds and the uses thereof PURDUE PHARMA LP (US) 2014-03-05 EP disclosed
US-20070200089-A1 Polishing liquid for metals FUJIFILM CORPORATION 2007-08-30 US disclosed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO disclosed
US-7001901-B2 Tetrazolylpropionamides as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 US disclosed
US-7001901-B2 Tetrazolylpropionamides as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 US disclosed
US-7001901-B2 Tetrazolylpropionamides as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 US disclosed
US-20040082568-A1 Central nervous system disorders; Alzheimer's disease BRISTOL-MYERS SQUIBB COMPANY 2004-04-29 US disclosed
US-20040082568-A1 Central nervous system disorders; Alzheimer's disease BRISTOL-MYERS SQUIBB COMPANY 2004-04-29 US disclosed
US-20040082568-A1 Central nervous system disorders; Alzheimer's disease BRISTOL-MYERS SQUIBB COMPANY 2004-04-29 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 (4 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-11365199-B2 Pyrazole compounds as modulators of FSHR and uses thereof FSHR, GNRHR, LHCGR CAPN1 3587/4885
US-20170173035-A1 BETA-TETRAZOLYL-PROPIONIC ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS MGAM, CMBL, PEPD CAPN1 531/4885
US-20040082568-A1 Central nervous system disorders; Alzheimer's disease APP, APBA1, DNPEP CAPN1 1460/4885
US-20180354965-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR CAPN1 3587/4885

“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.