SCHEMBL1673767

SCHEMBL1673767

CC(=O)OCc1ccc(C2=CCCN(C)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.52
CHRM1 P11229 6/20 0.45
CHRM5 P08912 5/20 0.45
CHRM2 P08172 4/20 0.45
CHRM4 P08173 4/20 0.45
CHRM3 P20309 4/20 0.45
ALDH1A1 P00352 1/20 0.44
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
CYP3A4 P08684 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.39
PMP22 Q01453 1/20 0.39
BLM P54132 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38

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
SCHEMBL1673622 0.79 ESR2 (0.43) ALDH1A1
SCHEMBL1673515 0.78 LSS (0.61) LSSCHRM1CHRM2CHRM3CHRNB2
SCHEMBL4198688 0.74 ALDH1A1 (0.69) ALDH1A1CYP3A4
SCHEMBL132773 0.72 ALDH1A1 (0.78) ALDH1A1CYP3A4LMNA
SCHEMBL12950949 0.71 CHRNB2 (0.57) LSSCHRM1CHRM2CHRM3CHRNB2
SCHEMBL3156325 0.70 CHRNB2 (0.55) LSSCHRM1CHRM2CHRM3CHRNB2
SCHEMBL713413 0.69 ALDH1A1 (0.62) ALDH1A1CYP3A4LMNA
SCHEMBL10644523 0.69 CHRNB4 (0.60) LSSCHRM1CHRM2CHRM3CHRNB2
Hydrochloric Acid SCHEMBL10760183 0.68 CHRNB4 (0.58) LSSCHRM1CHRM2CHRM3CHRNB2
SCHEMBL12518683 0.68 ALDH1A1 (0.60) ALDH1A1CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308854-A1 2,3,6-trisubstituted-4-pyrimidone derivatives Sanofi-Aventis (FR) 2011-04-13 EP disclosed
EP-2305651-A1 2,3,6-trisubstituted-4-pyrimidone derivatives Mitsubishi Tanabe Pharma Corporation (JP) 2011-04-06 EP disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
US-20060252768-A1 2,3,6-Trisubstituted-4-pyrimidone derivatives SANOFI (FR) 2006-11-09 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-20060252768-A1 2,3,6-Trisubstituted-4-pyrimidone derivatives PSEN1, PSEN2, MAPT LSS 4425/4885CHRM1 408/4885CHRM5 1285/4885

“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.