SCHEMBL3957409

SCHEMBL3957409

O=[C]CCC1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.35
GABRA5 P31644 3/20 0.34
GABRB2 P47870 3/20 0.34
SLC6A1 P30531 2/20 0.34
SLC6A12 P48065 2/20 0.34
SLC6A11 P48066 2/20 0.34
SLC6A13 Q9NSD5 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRR1 P24046 1/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
GNAO1 P09471 2/20 0.33
GBA1 P04062 1/20 0.33
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAI1 P63096 1/20 0.33
FAAH O00519 1/20 0.32
SLC6A4 P31645 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
SCHEMBL3948569 0.86 ITGB3 (0.39) HRH3GABRA5GABRB2SLC6A1SLC6A12
SCHEMBL1035801 0.86
SCHEMBL98082 0.82
SCHEMBL5218136 0.77
SCHEMBL96802 0.77
SCHEMBL1762532 0.76 POLB (0.40) HRH3GABRA5GABRB2SLC6A1SLC6A12
SCHEMBL26686102 0.76 HRH3 (0.35) HRH3GABRA5GABRB2SLC6A1SLC6A12
SCHEMBL332080 0.76 GNAO1 (0.45) HRH3GABRA5GABRB2SLC6A1SLC6A12
SCHEMBL397950 0.75
SCHEMBL2704009 0.75 CYP1A2 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2009-11-05 US claimed
EP-2032559-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2009-03-11 EP claimed
WO-2007138268-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2007-12-06 WO claimed
US-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2009-11-05 US disclosed
EP-2032559-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2009-03-11 EP disclosed
WO-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed
WO-2007138268-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2007-12-06 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-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION CCNI, MKI67, CDK2 HRH3 3450/4885GABRA5 4363/4885GABRB2 3503/4885

“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.