SCHEMBL3429372

SCHEMBL3429372

[O]CCCN1CCC(CO)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.45
ARG2 P78540 1/20 0.45
HRH3 Q9Y5N1 3/20 0.35
ACHE P22303 1/20 0.35
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
BCHE P06276 3/20 0.33
CYP2D6 P10635 1/20 0.33
GNAO1 P09471 1/20 0.33
BRD4 O60885 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
LTA4H P09960 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31

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
SCHEMBL3427082 1.00 ARG1 (0.45) ARG1ARG2HRH3ACHEHTR1D
SCHEMBL3424493 0.88 HRH3 (0.42) ARG1ARG2HRH3ACHEGNAO1
SCHEMBL3427083 0.84 ARG1 (0.43) ARG1ARG2HRH3ACHEHTR1D
SCHEMBL3429374 0.84 ARG1 (0.43) ARG1ARG2HRH3ACHEHTR1D
SCHEMBL8518882 0.81 GNAO1 (0.46) ARG1ARG2BCHEGNAO1
SCHEMBL2116542 0.81 GNAO1 (0.36) BCHEGNAO1
SCHEMBL3429474 0.79 ARG1 (0.42) ARG1ARG2HRH3ACHEHTR1D
SCHEMBL2119095 0.79 SIGMAR1 (0.33) ARG1ARG2GNAO1
SCHEMBL9368277 0.79 GNAO1 (0.53) BCHEGNAO1
SCHEMBL3431958 0.77 CYP2D6 (0.45) ARG1ARG2BCHECYP2D6CYP3A4

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.