SCHEMBL3225073

SCHEMBL3225073

O=C(CCCN1CCOCC1)NC1CC[CH]CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
GAA P10253 1/20 0.50
SMYD3 Q9H7B4 1/20 0.48
ALDH1A1 P00352 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
EPHX2 P34913 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK14 Q16539 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL5605682 0.82 EPHX1 (0.49) EPHX1GAASMYD3ALDH1A1CA1
SCHEMBL5605675 0.82 EPHX1 (0.49) EPHX1GAASMYD3ALDH1A1CA1
SCHEMBL5606056 0.79 EPHX1 (0.46) EPHX1GAASMYD3ALDH1A1CA1
SCHEMBL5606068 0.79 EPHX1 (0.46) EPHX1GAASMYD3ALDH1A1CA1
SCHEMBL3218381 0.78 SIGMAR1 (0.55) SMYD3ALDH1A1KMT2ASMN1; SMN2
SCHEMBL19742394 0.77 SIGMAR1 (0.63) EPHX1GAASMYD3ALDH1A1KMT2A
SCHEMBL18939245 0.76 SMN1; SMN2 (0.51) EPHX1GAASMYD3ALDH1A1SMN1; SMN2
SCHEMBL25501931 0.75 SMN1; SMN2 (0.55) EPHX1GAASMYD3KMT2AMEN1
SCHEMBL27370024 0.75 EPHX1 (0.47) EPHX1GAAALDH1A1EPHX2SMN1; SMN2
SCHEMBL3226930 0.74 SMYD3 (0.55) SMYD3SMN1; SMN2

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 3 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 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 1489/4885GAA 2022/4885SMYD3 4220/4885

“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.