SCHEMBL19488378

SCHEMBL19488378

CC(S)N1CCC[C@@H]1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.38
REN P00797 3/20 0.38
KDM4E B2RXH2 1/20 0.38
F2 P00734 1/20 0.38
LMNA P02545 1/20 0.38
LTA4H P09960 1/20 0.38
MAPT P10636 1/20 0.38
PEPD P12955 1/20 0.38
ALOX15 P16050 1/20 0.38
PTGS1 P23219 1/20 0.38
HTR2A P28223 1/20 0.38
PTGS2 P35354 1/20 0.38
HRH1 P35367 1/20 0.38
THPO P40225 1/20 0.38
PMP22 Q01453 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
EPHX1 P07099 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL12205476 0.85 ACE (0.37) ACERENKDM4EF2LMNA
SCHEMBL8259429 0.85 ACE (0.37) ACERENKDM4EF2LMNA
SCHEMBL9963377 0.85 ACE (0.37) ACERENKDM4EF2LMNA
SCHEMBL10692929 0.81 L3MBTL1 (0.35) ACERENKDM4EF2LMNA
SCHEMBL3392656 0.79 EPHX1 (0.39) ACERENKDM4EEPHX1
SCHEMBL26999873 0.79 TSHR (0.44) ACERENKDM4EF2LMNA
SCHEMBL19658753 0.75 DPP4 (0.36) F2LMNAPEPDHSD17B10DPP4
SCHEMBL683799 0.75 ACE (0.50) ACERENKDM4EF2LMNA
SCHEMBL18857354 0.74 L3MBTL1 (0.36) ACERENKDM4EF2LMNA
SCHEMBL976837 0.73 KMT2A (0.49) KDM4EDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298027-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2017-10-19 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-20170298027-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS P2RX3, CACNA1A, P2RX4 ACE 1172/4885REN 677/4885KDM4E 3092/4885

“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.