SCHEMBL343493

SCHEMBL343493

CC(CC#N)N(CC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.38
CTSK P43235 12/20 0.38
CTSL P07711 3/20 0.36
CTSB P07858 3/20 0.36
CTSD P07339 1/20 0.33
MAOB P27338 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL343494 1.00 CTSS (0.38) CTSSCTSKCTSLCTSBCTSD
SCHEMBL21175428 0.85 CTSS (0.39) CTSSCTSKCTSLCTSBHDAC6
SCHEMBL21175429 0.85 CTSS (0.39) CTSSCTSKCTSLCTSBHDAC6
SCHEMBL16812742 0.84 CTSK (0.37) CTSSCTSKCTSLCTSBCTSD
SCHEMBL6888470 0.81 CTSS (0.36) CTSSCTSKCTSLCTSBCTSD
SCHEMBL18634785 0.81 HDAC6 (0.33) CTSSCTSKHDAC6
SCHEMBL5724032 0.79 HDAC6 (0.34) CTSSCTSKHDAC6
SCHEMBL28478854 0.78 CTSS (0.33) CTSSCTSKCTSLCTSB
SCHEMBL3265048 0.78 CTSK (0.37) CTSSCTSKCTSLCTSBMAOB
SCHEMBL16812743 0.78 CTSS (0.38) CTSSCTSKCTSLCTSBCTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835422-B2 Substituted imidazoheterocycle derivatives CARA THERAPEUTICS, INC. (US) 2014-09-16 US disclosed
US-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CARA THERAPEUTICS, INC. (US) 2012-01-19 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 (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-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CNR1, CNR2, HRH1 CTSS 1807/4885CTSK 1745/4885CTSL 3886/4885

“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.