SCHEMBL2244595

SCHEMBL2244595

CN(C)CCOc1cccc2c3c([nH]c12)CCN(C(=O)O)C3

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
BAZ2B Q9UIF8 2/20 0.43
MTHFD2 P13995 2/20 0.41
MTHFD1 P11586 1/20 0.41
HTR1B P28222 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ALDH1A1 P00352 4/20 0.40
CFTR P13569 2/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CTSK P43235 1/20 0.39
KMT2A Q03164 1/20 0.39
CGAS Q8N884 1/20 0.39
PABPC1 P11940 1/20 0.39
ATM Q13315 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL2243043 0.87 HDAC1 (0.40) LMNAMAPTBAZ2BMTHFD2MTHFD1
SCHEMBL2243589 0.84 PARP1 (0.51) MAPTALDH1A1KDM4ESMN1; SMN2CTSK
SCHEMBL14563131 0.77 CTSK (0.60) CTSK
SCHEMBL2241877 0.76 CTSK (0.74) CTSK
SCHEMBL2244233 0.76 TAAR1 (0.51) HTR1BTAAR1ALDH1A1KMT2A
SCHEMBL2248881 0.73 PARP1 (0.46) MAPTALDH1A1KDM4ESMN1; SMN2CTSK
SCHEMBL4163960 0.69 CTSK (0.53) MAPTALDH1A1KDM4ECTSKATM
SCHEMBL28468258 0.69 MAPT (0.77) LMNAMAPTBAZ2BTAAR1ALDH1A1
SCHEMBL28534873 0.69 HRH3 (0.47) TAAR1KDM4ESMN1; SMN2KMT2ASIGMAR1
SCHEMBL8362888 0.68 PARP1 (0.66) LMNAMAPTBAZ2BTAAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170879-B1 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2013-01-16 EP disclosed
US-8008279-B2 Compound—827 ASTRAZENECA AB (SE) 2011-08-30 US disclosed
EP-2170879-A1 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS AstraZeneca AB (SE) 2010-04-07 EP disclosed
WO-2009001129-A9 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2010-02-04 WO disclosed
US-20090012077-A1 Novel Compound - 827 ASTRAZENECA AB (SE) 2009-01-08 US disclosed
WO-2009001129-A1 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 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-20090012077-A1 Novel Compound - 827 CTSS, CTSF, CTSB LMNA 1358/4885MAPT 2312/4885BAZ2B 222/4885

“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.