SCHEMBL3886111

SCHEMBL3886111

[2H]C([2H])C(C)(C#N)N1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.31

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
SCHEMBL3238755 0.98
SCHEMBL1427314 0.86 CYP2B6 (0.35) CYP2B6
SCHEMBL3232963 0.86 CYP2B6 (0.35) CYP2B6
SCHEMBL3007493 0.84 CTSL (0.35) CYP2B6
SCHEMBL16026414 0.73
SCHEMBL3237591 0.71
SCHEMBL1035871 0.67 CYP2B6 (0.35) CYP2B6
SCHEMBL2285285 0.67 CYP2B6 (0.35) CYP2B6
SCHEMBL15721208 0.65 RAB9A (0.33)
SCHEMBL6783509 0.64 HRH3 (0.34) CYP2B6

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-20090227629-A1 COMPOUNDS HAVING ACTIVITY AT THE GLYCINE TRANSPORTER GLYT1 AND USES THEREOF GLAXO GROUP LIMITED 2009-09-10 US disclosed
EP-2013173-A2 PYRIDINE-, ISOXAZOLE, THIOPHENECARBOXAMIDE COMPOUNDS HAVING ACTIVITY AT THE GLYCINE TRANSPORTER GLYT1 AND USES THEREOF GLAXO GROUP LIMITED (GB) 2009-01-14 EP disclosed
WO-2007080159-A2 PYRIDINE-, ISOXAZOLE, THIOPHENECARBOXAMIDE COMPOUNDS HAVING ACTIVITY AT THE GLYCINE TRANSPORTER GLYT1 AND USES THEREOF GLAXO GROUP LIMITED (GB) 2007-07-19 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-20090227629-A1 COMPOUNDS HAVING ACTIVITY AT THE GLYCINE TRANSPORTER GLYT1 AND USES THEREOF SLC18A2, SLC6A3, SLC6A2 CYP2B6 616/4885

“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.