SCHEMBL1673515

SCHEMBL1673515

CN1CCC=C(c2ccc(CO)cc2)C1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.61
CHRNB2 P17787 1/20 0.51
CHRNA4 P43681 1/20 0.51
CHRM1 P11229 3/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRM2 P08172 3/20 0.43
CHRM3 P20309 3/20 0.43
CHKA P35790 1/20 0.41

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
SCHEMBL12950949 0.79 CHRNB2 (0.57) LSSCHRNB2CHRNA4CHRM1CHRNB4
SCHEMBL1673767 0.78 LSS (0.52) LSSCHRNB2CHRNA4CHRM1CHRM2
SCHEMBL3156325 0.77 CHRNB2 (0.55) LSSCHRNB2CHRNA4CHRM1CHRNB4
SCHEMBL10644523 0.77 CHRNB4 (0.60) LSSCHRNB2CHRNA4CHRM1CHRNB4
Hydrochloric Acid SCHEMBL10760183 0.75 CHRNB4 (0.58) LSSCHRNB2CHRNA4CHRM1CHRNB4
SCHEMBL12925945 0.75 CHRNB2 (0.56) LSSCHRNB2CHRNA4CHRM1CHRNB4
SCHEMBL9320716 0.72 PTGS2 (0.41) CHRNB4CHRNA3
SCHEMBL11862219 0.71 ACMSD (0.47) CHRNB4CHRNA3
SCHEMBL3336874 0.69
SCHEMBL12951373 0.68 SIGMAR1 (0.50) LSSCHRNB2CHRNA4CHRM1CHRM2

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 6 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
EP-1608630-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2005-12-28 EP disclosed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 WO 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 4425/4885CHRNB2 715/4885CHRNA4 749/4885

“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.