SCHEMBL13712967

SCHEMBL13712967

COC(=O)[C@H]1CCC[C@H]1NCl

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM3 P20309 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
CNR2 P34972 1/20 0.39
PSEN1 P49768 3/20 0.39
PSEN2 P49810 3/20 0.39
APH1B Q8WW43 3/20 0.39
NCSTN Q92542 3/20 0.39
APH1A Q96BI3 3/20 0.39
PSENEN Q9NZ42 3/20 0.39
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 1/20 0.36
CPB1 P15086 1/20 0.35

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
SCHEMBL13712966 1.00 CHRM2 (0.47) CHRM2CHRM4CHRM3TAS1R3TAS1R1
SCHEMBL17086357 0.96 TAS1R3 (0.46) CHRM2CHRM4CHRM3TAS1R3TAS1R1
SCHEMBL13712968 0.82 TAS1R3 (0.46) TAS1R3TAS1R1PSEN1PSEN2APH1B
SCHEMBL29297310 0.82 CHRM2 (0.44) CHRM2CHRM4CHRM3TAS1R3TAS1R1
SCHEMBL14161210 0.82 CHRM2 (0.44) CHRM2CHRM4CHRM3TAS1R3TAS1R1
SCHEMBL14161205 0.82 CHRM2 (0.44) CHRM2CHRM4CHRM3TAS1R3TAS1R1
SCHEMBL9133791 0.80 CHRM2 (0.53) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL9133786 0.80 CHRM2 (0.53) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL4614064 0.80 CHRM2 (0.53) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL24618694 0.78 CHRM2 (0.42) CHRM2CHRM4CHRM3TAS1R3TAS1R1

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-7582626-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-20090111798-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. 2009-04-30 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-20090111798-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS HAVCR2, PYGL, HCCS CHRM2 2998/4885CHRM4 2402/4885CHRM3 1964/4885

“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.