SCHEMBL5081569

SCHEMBL5081569

CN1C[C@@H]([13C](=O)O)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.40
HTT P42858 1/20 0.39
CYP2D6 P10635 2/20 0.37
LMNA P02545 2/20 0.37
BLM P54132 2/20 0.37
ALOX15 P16050 2/20 0.37
CYP1A2 P05177 2/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
PMP22 Q01453 1/20 0.37
KMT2A Q03164 1/20 0.37
IDUA P35475 1/20 0.36
CAD P27708 2/20 0.35
ACE P12821 1/20 0.35
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33

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 1.00 P2RX7 (0.40) P2RX7HTTCYP2D6LMNABLM
SCHEMBL288353 1.00 P2RX7 (0.40) P2RX7HTTCYP2D6LMNABLM
SCHEMBL5365854 1.00 P2RX7 (0.40) P2RX7HTTCYP2D6LMNABLM
Hydrochloric Acid SCHEMBL28572830 0.98 P2RX7 (0.39) P2RX7HTTCYP2D6LMNABLM
SCHEMBL8232195 0.83 P2RX7 (0.40) P2RX7
SCHEMBL25251069 0.81 P2RX7 (0.39) P2RX7ACE
SCHEMBL8067332 0.81 P2RX7 (0.36) P2RX7
Lithium Ion SCHEMBL30619228 0.79 P2RX7 (0.38) P2RX7
SCHEMBL6992243 0.79 HTT (0.37) HTTCYP2D6LMNABLMALOX15
SCHEMBL8231725 0.78 BRD4 (0.49) P2RX7CYP1A2KMT2A

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-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

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 1739/4885HTT 4197/4885CYP2D6 1800/4885

“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.