SCHEMBL4501704

SCHEMBL4501704

COC(=O)[C@H]1CCCCC[C@H]1NCCC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 1/20 0.46
SLC6A2 P23975 2/20 0.42
CNR2 P34972 1/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
SLC6A4 P31645 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
FKBP1A P62942 1/20 0.33
EPHX2 P34913 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM3 P20309 1/20 0.33
EPHX1 P07099 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL4501708 1.00 SSTR3 (0.46) SSTR3SLC6A2CNR2ALDH1A1KDM4E
SCHEMBL4487986 1.00 SSTR3 (0.46) SSTR3SLC6A2CNR2ALDH1A1KDM4E
SCHEMBL4487983 1.00 SSTR3 (0.46) SSTR3SLC6A2CNR2ALDH1A1KDM4E
SCHEMBL4487988 1.00 SSTR3 (0.46) SSTR3SLC6A2CNR2ALDH1A1KDM4E
SCHEMBL4501706 1.00 SSTR3 (0.46) SSTR3SLC6A2CNR2ALDH1A1KDM4E
SCHEMBL4480915 0.85 SSTR3 (0.44) SSTR3ALDH1A1TAS1R3TAS1R1FKBP1A
SCHEMBL4480911 0.85 SSTR3 (0.44) SSTR3ALDH1A1TAS1R3TAS1R1FKBP1A
SCHEMBL4480919 0.85 SSTR3 (0.44) SSTR3ALDH1A1TAS1R3TAS1R1FKBP1A
SCHEMBL4497435 0.83 ALDH1A1 (0.40) SLC6A2CNR2ALDH1A1KDM4EMAPT
SCHEMBL4497432 0.83 ALDH1A1 (0.40) SLC6A2CNR2ALDH1A1KDM4EMAPT

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 SSTR3 4729/4885SLC6A2 4237/4885CNR2 493/4885

“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.