SCHEMBL5743553

SCHEMBL5743553

O=C(O)[C@@H]1CCCN1C(=O)C1CC1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.61
REN P00797 1/20 0.49
LMNA P02545 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL2441754 1.00 ACE (0.61) ACERENLMNACYP2C19HSD17B10
SCHEMBL31285433 1.00 ACE (0.61) ACERENLMNACYP2C19HSD17B10
SCHEMBL5743561 1.00 ACE (0.61) ACERENLMNACYP2C19HSD17B10
SCHEMBL2441752 1.00 ACE (0.61) ACERENLMNACYP2C19HSD17B10
SCHEMBL2441750 1.00 ACE (0.61) ACERENLMNACYP2C19HSD17B10
SCHEMBL6039783 1.00 ACE (0.61) ACERENLMNACYP2C19HSD17B10
SCHEMBL6791984 1.00 ACE (0.61) ACERENLMNACYP2C19HSD17B10
SCHEMBL14484393 0.94 ACE (0.59) ACERENLMNACYP2C19HSD17B10
SCHEMBL27285049 0.94 ACE (0.62) ACERENLMNACYP2C19HSD17B10
SCHEMBL21163968 0.92 ACE (0.57) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6531612-B2 Pyrrolidine-2-carboxylic acid cyano-methyl amide derivatives useful for treating diseases associated with cystein proteases, such as osteoporosis, osteoarthritis, rheumatoid arthritis, tumor metastasis, glomerulonephritis HOFFMAN-LA ROCHE INC. 2003-03-11 US claimed
US-20010008901-A1 Nitrile derivatives that inhibit cathepsin K F. HOFFMANN-LA ROCHE AG (CH) 2001-07-19 US claimed
EP-1244621-B1 NITRILE DERIVATIVES AS CATHEPSIN K INHIBITORS HOFFMANN LA ROCHE (CH) 2006-09-13 EP disclosed
US-6531612-B2 Pyrrolidine-2-carboxylic acid cyano-methyl amide derivatives useful for treating diseases associated with cystein proteases, such as osteoporosis, osteoarthritis, rheumatoid arthritis, tumor metastasis, glomerulonephritis HOFFMAN-LA ROCHE INC. 2003-03-11 US disclosed
EP-1244621-A1 NITRILE DERIVATIVES AS CATHEPSIN K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-10-02 EP disclosed
US-20010008901-A1 Nitrile derivatives that inhibit cathepsin K F. HOFFMANN-LA ROCHE AG (CH) 2001-07-19 US disclosed
WO-2001047886-A1 NITRILE DERIVATIVES AS CATHEPSIN K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-07-05 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 (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-20010008901-A1 Nitrile derivatives that inhibit cathepsin K CTSK, CTSH, CTSS ACE 42/4885REN 64/4885LMNA 2666/4885

“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.