SCHEMBL5740704

SCHEMBL5740704

COc1ccc(CCCC(=O)N2CCC[C@H]2C(=O)O)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.60
FKBP1A P62942 4/20 0.53
MMP2 P08253 1/20 0.50
ANPEP P15144 1/20 0.50
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47

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
SCHEMBL5740712 1.00 ACE (0.60) ACEFKBP1AMMP2ANPEPALDH1A1
SCHEMBL11209691 0.85 DPP4 (0.55) FKBP1AALDH1A1MEN1KMT2A
SCHEMBL2785955 0.84 FKBP1A (0.56) ACEFKBP1AMEN1KMT2A
SCHEMBL5741599 0.81 KMT2A (0.53) ACEFKBP1AALDH1A1KDM4EMEN1
SCHEMBL5741606 0.81 KMT2A (0.53) ACEFKBP1AALDH1A1KDM4EMEN1
SCHEMBL11024613 0.80 ACE (0.55) ACEMEN1KMT2A
SCHEMBL7447841 0.80 ACE (0.47) ACEFKBP1AMMP2ANPEPALDH1A1
SCHEMBL11026719 0.80 ALDH1A1 (0.52) ACEFKBP1AALDH1A1SMN1; SMN2MEN1
SCHEMBL7330019 0.80 MEN1 (0.63) ACEMEN1KMT2A
SCHEMBL5741647 0.80 MEN1 (0.63) ACEMEN1KMT2A

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 42/4885FKBP1A 4194/4885MMP2 78/4885

“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.