SCHEMBL3939592

SCHEMBL3939592

CCN(CC)C1CCN(CC=O)C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
KMT2A Q03164 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
DRD3 P35462 2/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 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
SCHEMBL3941810 0.89 OPRM1 (0.33) ADH1CADH1AKMT2ADRD3DRD2
SCHEMBL13693766 0.81 KDM1A (0.36) ADH1CADH1A
SCHEMBL5593756 0.81 KDM1A (0.36) ADH1CADH1A
SCHEMBL8441895 0.79 SMN1; SMN2 (0.35) KMT2A
SCHEMBL12841915 0.76 MEN1 (0.41) KMT2ADRD3DRD2DRD4
SCHEMBL13456547 0.76 KMT2A (0.35) KMT2AADORA2AADORA1
SCHEMBL27788064 0.74 ADH1C (0.33) ADH1CADH1AKMT2ADRD3DRD2
SCHEMBL1308424 0.74 ADH1C (0.33) ADH1CADH1AKMT2ADRD3DRD2
SCHEMBL6402995 0.74 HRH3 (0.37) KMT2A
SCHEMBL3933502 0.73 L3MBTL3 (0.38) ADH1CADH1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044083-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2009-04-08 EP claimed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US claimed
WO-2008008907-A2 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO claimed
WO-2008008912-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO claimed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US claimed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. 2008-02-21 US disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 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 (3 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-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS EIF2AK2, ZC3HAV1, MAVS ADH1C 3992/4885ADH1A 3186/4885KMT2A 2119/4885
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 ADH1C 2579/4885ADH1A 1597/4885KMT2A 2460/4885
US-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 ADH1C 3974/4885ADH1A 2394/4885KMT2A 4254/4885

“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.