SCHEMBL4866526

SCHEMBL4866526

CCN(c1ccccc1C(=O)N1CCN(CC(C)(C)O)CC1)[C@@H](CC(C)C)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
PARP1 P09874 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 3/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
HTR4 Q13639 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL2170760 0.70 HTT (0.32) KMT2AALDH1A1POLBGAAHTT
SCHEMBL4867348 0.68 ALDH1A1 (0.46) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL4954828 0.68 HTR1A (0.38) LMNAGAA
SCHEMBL2154878 0.66 PDK1 (0.36) LMNACTSLCTSBCTSKMEN1
SCHEMBL3695604 0.66 BLM (0.58) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL4957416 0.65 AAK1 (0.38) LMNAFNTAFNTBMEN1KMT2A
SCHEMBL4866544 0.65 CHRM3 (0.34) LMNACTSLCTSBCTSKMEN1
SCHEMBL4866147 0.64 SLC6A2 (0.38) CTSLCTSBCTSK
SCHEMBL2163020 0.62 GPR88 (0.44) CTSKALDH1A1KDM4E
SCHEMBL14595363 0.62 ALDH1A1 (0.57) LMNAMEN1KMT2AALDH1A1POLB

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-20140256743-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2014-09-11 US disclosed
US-8772336-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA LTD. (CA) 2014-07-08 US disclosed
US-20130035312-A1 CATHEPSIN CYSTEINE PROTEASE INHIBIORS AXYS PHARMACEUTICALS, INC. (US) 2013-02-07 US disclosed
US-8318748-B2 Cathepsin cysteine protease inhibitors Merck, Sharp & Dohme Corp. (US) 2012-11-27 US disclosed
US-20080188529-A1 N1-(cyanomethyl)-N2-(2,2,2-trifluoro-1-phenylethyl)-L-leucinamide; antiarthritic agent; osteoporosis and other bone loss disorders MERCK CANADA INC. (CA) 2008-08-07 US disclosed
US-7375134-B2 N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders AXYS PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
US-20050240023-A1 N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders MERCK CANADA INC. (CA) 2005-10-27 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-20130035312-A1 CATHEPSIN CYSTEINE PROTEASE INHIBIORS CTSB, CTSS, CTSZ LMNA 1888/4885PARP1 3270/4885FNTA 2234/4885
US-20140256743-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ LMNA 2431/4885PARP1 3963/4885FNTA 2360/4885
US-20080188529-A1 N1-(cyanomethyl)-N2-(2,2,2-trifluoro-1-phenylethyl)-L-leucinamide; antiarthritic agent; osteoporosis and other bone loss disorders CTSE, CTSL, CTSK LMNA 273/4885PARP1 2713/4885FNTA 1767/4885
US-20050240023-A1 N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders CTSE, CTSS, CTSB LMNA 293/4885PARP1 2626/4885FNTA 2809/4885

“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.