SCHEMBL3593370

SCHEMBL3593370

COC(=O)C1CN(CC(C)C)C=N1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CYP2D6 P10635 1/20 0.31
PEPD P12955 2/20 0.31
GAA P10253 1/20 0.31
XPNPEP1 Q9NQW7 1/20 0.30

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
SCHEMBL3586977 0.79 CYP3A4 (0.34) L3MBTL1
SCHEMBL3601322 0.73 BRD4 (0.37)
SCHEMBL16846630 0.73 KLKB1 (0.30)
SCHEMBL3590039 0.72 ALDH1A1 (0.41) L3MBTL1
SCHEMBL3587636 0.66 SMN1; SMN2 (0.36)
SCHEMBL3597233 0.65 SMN1; SMN2 (0.37)
Acetic Acid SCHEMBL28552652 0.63 PIK3CD (0.39)
SCHEMBL19838911 0.62 CYP19A1 (0.39) CYP19A1CYP2D6PEPDGAAXPNPEP1
SCHEMBL24960898 0.61 SMN1; SMN2 (0.45) CYP2D6GAA
SCHEMBL12125010 0.61 CYP2D6 (0.39) L3MBTL1CYP2D6PEPD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728028-B2 Substituted imidazoline compounds GRUENENTHAL GMBH (DE) 2010-06-01 US disclosed
US-20090048323-A1 SUBSTITUTED IMIDAZOLINE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-02-19 US 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-20090048323-A1 SUBSTITUTED IMIDAZOLINE COMPOUNDS ITCH, OPRK1, ALDH1A1 CYP19A1 1547/4885L3MBTL1 3010/4885CYP2D6 85/4885

“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.