SCHEMBL3429374

SCHEMBL3429374

OCCCN1CCC(CO)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.43
ARG2 P78540 1/20 0.43
HRH3 Q9Y5N1 3/20 0.36
ACHE P22303 3/20 0.36
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
GNAO1 P09471 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM2 P08172 4/20 0.33
CHRM4 P08173 4/20 0.33
CHRM5 P08912 4/20 0.33
CHRM1 P11229 4/20 0.33
CHRM3 P20309 4/20 0.33
DRD2 P14416 3/20 0.33
DRD4 P21917 3/20 0.33
DRD3 P35462 3/20 0.33
GBA1 P04062 1/20 0.33
MAOB P27338 2/20 0.33
ALB P02768 1/20 0.33

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
SCHEMBL3427083 1.00 ARG1 (0.43) ARG1ARG2HRH3ACHEHTR1D
SCHEMBL3424498 0.87 ACHE (0.44) HRH3ACHEGNAO1CHRM2CHRM4
SCHEMBL3429474 0.87 ARG1 (0.42) ARG1ARG2HRH3ACHEHTR1D
SCHEMBL3429372 0.84 ARG1 (0.45) ARG1ARG2HRH3ACHEHTR1D
SCHEMBL2116543 0.84 HTR1A (0.38) ACHEGNAO1DRD2DRD4DRD3
SCHEMBL3427082 0.84 ARG1 (0.45) ARG1ARG2HRH3ACHEHTR1D
SCHEMBL8518882 0.84 GNAO1 (0.46) ARG1ARG2GNAO1DRD2DRD4
SCHEMBL9368277 0.82 GNAO1 (0.53) GNAO1DRD2DRD4DRD3GBA1
SCHEMBL2119099 0.81 CHRM2 (0.36) ARG1ARG2HRH3ACHECHRM2
Hydrochloric Acid SCHEMBL29518770 0.80 GNAO1 (0.58) GNAO1DRD2DRD4DRD3GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691867-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-04-06 US disclosed
EP-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP disclosed
US-20060270692-A1 Chemical compounds ASTRAZENECA AB (SE) 2006-11-30 US disclosed
EP-1613619-A1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER AstraZeneca AB (SE) 2006-01-11 EP disclosed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 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-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 ARG1 2299/4885ARG2 1645/4885HRH3 1333/4885

“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.