SCHEMBL2244233

SCHEMBL2244233

CN(C)CCOc1cccc2c3c([nH]c12)CCNC3

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.51
HTR1B P28222 3/20 0.46
PARP1 P09874 1/20 0.42
RAD52 P43351 1/20 0.41
KMT2A Q03164 1/20 0.41
NISCH Q9Y2I1 1/20 0.40
PNMT P11086 1/20 0.39
HTR7 P34969 3/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL2241416 0.84 TAAR1 (0.57) TAAR1PARP1RAD52KMT2ANISCH
SCHEMBL2244435 0.79 TAAR1 (0.61) TAAR1PARP1RAD52KMT2ANISCH
SCHEMBL14563132 0.79 TAAR1 (0.51) TAAR1PARP1RAD52KMT2ANISCH
SCHEMBL2243420 0.78 HRH3 (0.57) TAAR1PARP1HTR7HRH3
SCHEMBL8110408 0.78 TAAR1 (0.53) TAAR1PARP1RAD52KMT2ANISCH
Hydrochloric Acid SCHEMBL2243649 0.77 TAAR1 (0.55) TAAR1PARP1RAD52KMT2ANISCH
SCHEMBL2244595 0.76 LMNA (0.43) TAAR1HTR1BKMT2AALDH1A1
SCHEMBL14563133 0.75 TAAR1 (0.52) TAAR1PARP1RAD52KMT2ANISCH
SCHEMBL2244011 0.75 TAAR1 (0.58) TAAR1PARP1RAD52KMT2ANISCH
SCHEMBL2243043 0.72 HDAC1 (0.40) TAAR1HTR1BALDH1A1

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 13 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
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
US-8008279-B2 Compound—827 ASTRAZENECA AB (SE) 2011-08-30 US 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
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
US-20090012077-A1 Novel Compound - 827 ASTRAZENECA AB (SE) 2009-01-08 US 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
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 TAAR1 4785/4885HTR1B 3843/4885PARP1 3099/4885

“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.