SCHEMBL9889092

SCHEMBL9889092

CNCCNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.67
CTSS P25774 6/20 0.67
CTSL P07711 2/20 0.67
CTSB P07858 1/20 0.67
CAPN1 P07384 1/20 0.65
AAK1 Q2M2I8 1/20 0.47
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
MAP1LC3B Q9GZQ8 1/20 0.43
MAP1LC3A Q9H492 1/20 0.43
REN P00797 1/20 0.43

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
SCHEMBL14104498 1.00 CTSK (0.67) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7302264 0.87 CTSS (0.68) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL17449484 0.87 CTSS (0.68) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL18941377 0.87 CTSS (0.68) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL28969921 0.87 CTSS (0.68) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL12201048 0.86 CAPN1 (0.70) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8693200 0.86 CTSS (0.67) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL9787700 0.84 CTSS (0.69) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8694944 0.84 CTSS (0.65) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL12653617 0.84 CTSS (0.65) CTSKCTSSCTSLCTSBCAPN1

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
US-20120142718-A1 N-17-Alkylated Prodrugs of Opioids SIGNATURE THERAPEUTICS, INC. 2012-06-07 US disclosed
US-20120142718-A1 N-17-Alkylated Prodrugs of Opioids SIGNATURE THERAPEUTICS, INC. 2012-06-07 US disclosed
US-20110105381-A2 Prodrugs of Peripheral Phenolic Opioid Antagonists PHARMACOFORE, INC. (US) 2011-05-05 US disclosed
US-20110105381-A2 Prodrugs of Peripheral Phenolic Opioid Antagonists PHARMACOFORE, INC. (US) 2011-05-05 US disclosed
US-20100267614-A1 Prodrugs of Peripheral Phenolic Opioid Antagonists PHARMACOFORE, INC. 2010-10-21 US disclosed
US-20100267614-A1 Prodrugs of Peripheral Phenolic Opioid Antagonists PHARMACOFORE, INC. 2010-10-21 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 (3 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-20110105381-A2 Prodrugs of Peripheral Phenolic Opioid Antagonists OPRM1, OPRL1, OPRK1 CTSK 3149/4885CTSS 2476/4885CTSL 743/4885
US-20120142718-A1 N-17-Alkylated Prodrugs of Opioids OPRM1, OPRD1, OPRL1 CTSK 2485/4885CTSS 1792/4885CTSL 1675/4885
US-20100267614-A1 Prodrugs of Peripheral Phenolic Opioid Antagonists OPRM1, OPRK1, OPRL1 CTSK 3073/4885CTSS 2573/4885CTSL 775/4885

“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.