SCHEMBL6863334

SCHEMBL6863334

CN(C)CCCN(C)C1CCNC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.41
SLC6A2 P23975 10/20 0.41
SLC6A3 Q01959 7/20 0.41
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
SIGMAR1 Q99720 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
KCNH2 Q12809 2/20 0.32
CYP2D6 P10635 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
SCHEMBL12120357 1.00 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3NOS3NOS1
Bromide SCHEMBL1306413 0.98 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3NOS3NOS1
SCHEMBL1307225 0.88 NOS3 (0.35) SLC6A4SLC6A2SLC6A3NOS3NOS1
SCHEMBL12120285 0.88 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3NOS3NOS1
SCHEMBL26197502 0.88 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3NOS3NOS1
Bromide SCHEMBL1307607 0.86 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3NOS3NOS1
SCHEMBL19292100 0.85 SLC6A2 (0.45) SLC6A4SLC6A2SLC6A3NOS3NOS1
SCHEMBL1307919 0.84 ALDH1A1 (0.40) SLC6A4SLC6A2SLC6A3NOS3NOS1
SCHEMBL28891294 0.83 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3NOS3NOS1
SCHEMBL28891291 0.83 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3NOS3NOS1

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
WO-2014082889-A1 NOVEL IMIDAZOLINES AS DUAL INHIBITORS OF MDM2 AND MDMX F. HOFFMANN-LA ROCHE AG (CH) 2014-06-05 WO disclosed
US-20140148443-A1 Novel Imidazolines as dual inhibitors of MDM2 and MDMX HOFFMANN-LA ROCHE INC. (US) 2014-05-29 US disclosed
WO-2011106650-A2 NOVEL P53-MDM2/P53-MDM4 ANTAGONISTS TO TREAT PROLIFERATIVE DISEASE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-09-01 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-20140148443-A1 Novel Imidazolines as dual inhibitors of MDM2 and MDMX MDM2, MDM4, TP53 SLC6A4 4537/4885SLC6A2 4796/4885SLC6A3 3545/4885

“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.