SCHEMBL13469642

SCHEMBL13469642

O=C(O)CN1CCN(CCCN2C(=O)c3ccccc3C2=O)CCN(CCCN2C(=O)c3ccccc3C2=O)CCN(CCCN2C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.68
▸ MAOB P27338 4/20 0.62
▸ DRD2 P14416 2/20 0.59
▸ DRD3 P35462 2/20 0.59
▸ CA12 O43570 1/20 0.58
▸ CA9 Q16790 1/20 0.58

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
SCHEMBL13469516 1.00 HTR1A (0.68) HTR1AMAOBDRD2DRD3CA12
SCHEMBL13278990 1.00 HTR1A (0.68) HTR1AMAOBDRD2DRD3CA12
SCHEMBL13469501 0.91 CA12 (0.62) HTR1ACA12CA9
SCHEMBL13469510 0.87 HTR1A (0.79) HTR1AMAOBDRD2DRD3
SCHEMBL4715710 0.85 HTR1A (0.68) HTR1AMAOBDRD2DRD3
SCHEMBL14028451 0.84 HTR1A (0.79) HTR1AMAOBDRD2DRD3
SCHEMBL10857215 0.83 HTR1A (0.68) HTR1AMAOBDRD2DRD3
SCHEMBL1275567 0.82 HTR1A (0.68) HTR1AMAOBDRD2DRD3
SCHEMBL7972938 0.82 ALDH1A1 (0.70) HTR1AMAOBDRD2
SCHEMBL1532232 0.81 MAOB (0.73) HTR1AMAOBDRD2DRD3

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-20140154815-A1 Luminescent Compounds, Complexes and Their Uses LONDON METROPOLITAN UNIVERSITY (GB) 2014-06-05 — — US disclosed
WO-2012140437-A1 LUMINESCENT COMPOUNDS, COMPLEXES AND THEIR USES LONDON METROPOLITAN UNIVERSITY (GB) 2012-10-18 — — 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-20140154815-A1 Luminescent Compounds, Complexes and Their Uses PML, UACA, TBC1D5 HTR1A 4719/4885MAOB 2457/4885DRD2 4115/4885

“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.

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