SCHEMBL8199657

SCHEMBL8199657

CC1COc2c(O)cccc2O1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 3/20 0.54
CHRNA3 P32297 3/20 0.54
ACHE P22303 1/20 0.41
DRD2 P14416 1/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
OPRD1 P41143 1/20 0.37
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
CA2 P00918 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
SCHEMBL13517937 0.81 MAOA (0.45) CHRNB4CHRNA3MAOAMAOBADRA1D
SCHEMBL13727045 0.81 MAOA (0.45) CHRNB4CHRNA3MAOAMAOBADRA1D
SCHEMBL13517093 0.81 MAOA (0.45) CHRNB4CHRNA3MAOAMAOBADRA1D
SCHEMBL8199655 0.79 CHRNB4 (0.50) CHRNB4CHRNA3ACHEDRD2OPRD1
SCHEMBL8204830 0.79 CA2 (0.50) CHRNB4CHRNA3ADRA1DADRA1AADRA1B
SCHEMBL13998649 0.76 ADRA1D (0.50) MAOAMAOBADRA1DADRA1AADRA1B
SCHEMBL6002699 0.76 CYP11B1 (0.56)
SCHEMBL8116022 0.75 CHRNB4 (0.47) CHRNB4CHRNA3
SCHEMBL9093837 0.75 CHRNB4 (0.47) CHRNB4CHRNA3
SCHEMBL17818432 0.73 CHRNB4 (0.41) CHRNB4CHRNA3ACHEMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465737-B2 Heteroaryl substituted 2-pyridinyl and 2-pyrimidinyl -6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one derivatives SANOFI-AVENTIS (FR) 2008-12-16 US disclosed
US-20070225300-A1 HETEROARYL SUBSTITUTED 2-PYRIDINYL AND 2-PYRIMIDINYL -6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2007-09-27 US disclosed
WO-2000058301-A1 N-[2-(4-AMINOPHYL)ETHYL]-2,3-DIHYDRO-1,4-BENZODIOXINE-2-METHANAMINE, PRODUCTION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2000-10-05 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-20070225300-A1 HETEROARYL SUBSTITUTED 2-PYRIDINYL AND 2-PYRIMIDINYL -6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES CDK5, CDK5R1, PSEN2 CHRNB4 896/4885CHRNA3 484/4885ACHE 166/4885

“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.