SCHEMBL13712968

SCHEMBL13712968

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
JAK1 P23458 1/20 0.43
ALDH1A1 P00352 1/20 0.36
PPM1B O75688 1/20 0.36
PTPN1 P18031 1/20 0.36
PPP1CC P36873 1/20 0.36
CTSB P07858 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
PSEN1 P49768 3/20 0.35
PSEN2 P49810 3/20 0.35
APH1B Q8WW43 3/20 0.35
NCSTN Q92542 3/20 0.35
APH1A Q96BI3 3/20 0.35
PSENEN Q9NZ42 3/20 0.35
MAPT P10636 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL14565673 0.97 TAS1R3 (0.49) TAS1R3TAS1R1JAK1ALDH1A1PPM1B
SCHEMBL4495502 0.84 JAK1 (0.46) TAS1R3TAS1R1JAK1ALDH1A1PPM1B
SCHEMBL4489974 0.83 TAS1R3 (0.43) TAS1R3TAS1R1JAK1ALDH1A1PPM1B
SCHEMBL8441969 0.83 TAS1R3 (0.43) TAS1R3TAS1R1JAK1ALDH1A1PPM1B
SCHEMBL13712967 0.82 CHRM2 (0.47) TAS1R3TAS1R1PSEN1PSEN2APH1B
SCHEMBL13712966 0.82 CHRM2 (0.47) TAS1R3TAS1R1PSEN1PSEN2APH1B
SCHEMBL14534581 0.81 TAS1R3 (0.48) TAS1R3TAS1R1JAK1ALDH1A1PSEN1
SCHEMBL5656187 0.81 PSEN1 (0.55) TAS1R3TAS1R1JAK1ALDH1A1PSEN1
SCHEMBL4480695 0.81 TAS1R3 (0.43) TAS1R3TAS1R1JAK1ALDH1A1CTSB
SCHEMBL30593660 0.81 THRB (0.43) TAS1R3TAS1R1JAK1ALDH1A1PPM1B

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 TAS1R3 4286/4885TAS1R1 4108/4885JAK1 1450/4885

“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.