SCHEMBL3207142

SCHEMBL3207142

[NH]C(=O)CC1CCCNC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.54
SLC6A1 P30531 4/20 0.52
SLC6A11 P48066 3/20 0.52
SLC6A13 Q9NSD5 3/20 0.52
GABRA5 P31644 2/20 0.52
GABRB2 P47870 2/20 0.52
SLC6A12 P48065 2/20 0.52
GABRA1 P14867 1/20 0.52
GABRR1 P24046 1/20 0.52
GABRA4 P48169 1/20 0.52
CPN1 P15169 2/20 0.47
CPB2 Q96IY4 2/20 0.47
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL4940612 1.00 EPHX1 (0.54) EPHX1SLC6A1SLC6A11SLC6A13GABRA5
SCHEMBL4940615 0.84 SLC6A1 (0.52) EPHX1SLC6A1SLC6A11SLC6A13GABRA5
SCHEMBL29499900 0.84 SLC6A1 (0.52) EPHX1SLC6A1SLC6A11SLC6A13GABRA5
SCHEMBL3207149 0.84 SLC6A1 (0.52) EPHX1SLC6A1SLC6A11SLC6A13GABRA5
Hydrochloric Acid SCHEMBL29642926 0.82 SLC6A1 (0.50) EPHX1SLC6A1SLC6A11SLC6A13GABRA5
Hydrochloric Acid SCHEMBL30484345 0.82 SLC6A1 (0.50) EPHX1SLC6A1SLC6A11SLC6A13GABRA5
SCHEMBL1225755 0.82 SLC6A1 (0.77) EPHX1SLC6A1SLC6A11SLC6A13GABRA5
SCHEMBL18828784 0.82 SLC6A1 (0.77) EPHX1SLC6A1SLC6A11SLC6A13GABRA5
SCHEMBL18828823 0.82 SLC6A1 (0.77) EPHX1SLC6A1SLC6A11SLC6A13GABRA5
SCHEMBL4115452 0.80 SLC6A1 (0.74) EPHX1SLC6A1SLC6A11SLC6A13GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063049-A1 2-CARBOCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2010-03-11 US claimed
EP-2029578-A1 2-CARBOCYCLOAMINO-4-IMIDAZ0LYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2009-03-04 EP claimed
WO-2007138277-A1 2-CARBOCYCLOAMINO-4-IMIDAZ0LYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2007-12-06 WO claimed
US-20100063049-A1 2-CARBOCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2010-03-11 US disclosed
EP-2029578-A1 2-CARBOCYCLOAMINO-4-IMIDAZ0LYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2009-03-04 EP disclosed
WO-2007138277-A1 2-CARBOCYCLOAMINO-4-IMIDAZ0LYLPYRIMIDINES AS AGENTS FOR THE INHBITION 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-20100063049-A1 2-CARBOCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION MKI67, CCNI, CDK2 EPHX1 1489/4885SLC6A1 4577/4885SLC6A11 4811/4885

“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.