SCHEMBL2016408

SCHEMBL2016408

CCNCC(=O)NCC#N

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.54
DPP4 P27487 1/20 0.40
CTSS P25774 7/20 0.38
CTSL P07711 2/20 0.34
TERT O14746 1/20 0.34
CTSK P43235 5/20 0.33
CTSB P07858 2/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
LIPG Q9Y5X9 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
SCHEMBL23178023 0.83 MCL1 (0.52) MCL1DPP4CTSSCTSLCTSK
SCHEMBL583353 0.80 MCL1 (0.40) MCL1DPP4TERTPOLB
SCHEMBL1790228 0.79
SCHEMBL14590058 0.77
SCHEMBL583505 0.77 MCL1 (0.38) MCL1DPP4TERTPOLB
SCHEMBL5418544 0.77
SCHEMBL5154225 0.77
Hydrochloric Acid SCHEMBL10795924 0.77 MCL1 (0.50) MCL1DPP4TERTPOLBALDH1A1
SCHEMBL12472218 0.76 MCL1 (0.40) MCL1CTSSCTSLCTSKCTSB
SCHEMBL21153346 0.75 MCL1 (0.48) MCL1DPP4TERTPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160180-A1 Cannabinoid Receptor Ligands ASTRAZENECA AB (SE) 2011-06-30 US disclosed
US-20110160180-A1 Cannabinoid Receptor Ligands ASTRAZENECA AB (SE) 2011-06-30 US disclosed
US-20110160180-A1 Cannabinoid Receptor Ligands ASTRAZENECA AB (SE) 2011-06-30 US disclosed
EP-2190838-A1 CANNABINOID RECEPTOR LIGANDS AstraZeneca AB (SE) 2010-06-02 EP disclosed
US-20090062251-A1 Novel Compounds 002 ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062251-A1 Novel Compounds 002 ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062251-A1 Novel Compounds 002 ASTRAZENECA AB (SE) 2009-03-05 US disclosed
WO-2009024819-A1 CANNABINOID RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed
WO-2009024819-A1 CANNABINOID RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2009-02-26 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 (2 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-20090062251-A1 Novel Compounds 002 OPRL1, OPRK1, OPRM1 MCL1 2183/4885DPP4 2243/4885CTSS 2390/4885
US-20110160180-A1 Cannabinoid Receptor Ligands CNR1, CNR2, OPRL1 MCL1 1380/4885DPP4 4399/4885CTSS 2543/4885

“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.