SCHEMBL8232195

SCHEMBL8232195

CC(=O)[C@@H]1CN(C)C(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.40
BRD4 O60885 3/20 0.32
MAPK1 P28482 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
CHRNB3 Q05901 1/20 0.30
CHRNA6 Q15825 1/20 0.30

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
SCHEMBL6999553 0.83 P2RX7 (0.40) P2RX7
SCHEMBL5365854 0.83 P2RX7 (0.40) P2RX7
SCHEMBL288353 0.83 P2RX7 (0.40) P2RX7
SCHEMBL5081569 0.83 P2RX7 (0.40) P2RX7
SCHEMBL25251069 0.81 P2RX7 (0.39) P2RX7BRD4
Hydrochloric Acid SCHEMBL28572830 0.81 P2RX7 (0.39) P2RX7
Lithium Ion SCHEMBL30619228 0.79 P2RX7 (0.38) P2RX7BRD4
SCHEMBL8422246 0.78 P2RX7 (0.40) P2RX7BRD4CHRNB2CHRNA3CHRNA4
SCHEMBL8231477 0.78 P2RX7 (0.40) P2RX7BRD4CHRNB2CHRNA3CHRNA4
SCHEMBL8231725 0.78 BRD4 (0.49) P2RX7BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377872-B2 Non-structural protein-3 (NS-3) protease inhibitors; viricides ENANTA PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-8377872-B2 Non-structural protein-3 (NS-3) protease inhibitors; viricides ENANTA PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20080267916-A1 CYCLIC P3 TRIPEPTIDE HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-10-30 US disclosed
US-20080267916-A1 CYCLIC P3 TRIPEPTIDE HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-10-30 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-20080267916-A1 CYCLIC P3 TRIPEPTIDE HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, CTSC, PREP P2RX7 1739/4885BRD4 2092/4885MAPK1 1932/4885

“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.