SCHEMBL3429474

SCHEMBL3429474

OCCN1CCC(CO)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.42
ARG2 P78540 1/20 0.42
SLC18A3 Q16572 1/20 0.40
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
CYP2D6 P10635 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
HRH3 Q9Y5N1 3/20 0.34
LTA4H P09960 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
BRD4 O60885 1/20 0.32
AGL P35573 1/20 0.32
ACHE P22303 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 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
SCHEMBL3431959 0.87 CYP2D6 (0.47) CYP2D6ALDH1A1LTA4HPKMKMT2A
SCHEMBL3427083 0.87 ARG1 (0.43) ARG1ARG2HTR1DHTR1BCYP2D6
SCHEMBL3429374 0.87 ARG1 (0.43) ARG1ARG2HTR1DHTR1BCYP2D6
SCHEMBL1316226 0.86 SLC18A3 (0.47) SLC18A3KDM4EALDH1A1HRH3LTA4H
SCHEMBL25344529 0.83 ARG1 (0.43) ARG1ARG2HTR1DHTR1BCYP2D6
SCHEMBL10064775 0.83 ARG1 (0.43) ARG1ARG2HTR1DHTR1BCYP2D6
SCHEMBL15038169 0.83 SLC18A3 (0.38) ARG1ARG2SLC18A3KDM4EALDH1A1
SCHEMBL2386729 0.83 ARG1 (0.40) ARG1ARG2HTR1DHTR1BCYP2D6
SCHEMBL3429472 0.83 SLC18A3 (0.38) ARG1ARG2SLC18A3KDM4EALDH1A1
SCHEMBL10064196 0.83 ARG1 (0.43) ARG1ARG2HTR1DHTR1BCYP2D6

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 1645/4885SLC18A3 2994/4885

“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.