SCHEMBL3172394

SCHEMBL3172394

COc1ccc(CC(=O)NC2(C=O)CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.54
▸ MAPT P10636 3/20 0.54
▸ HTT P42858 1/20 0.54
▸ CYP2D6 P10635 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KCNQ2 O43526 1/20 0.44
▸ GAA P10253 1/20 0.43

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
SCHEMBL3166350 0.82 POLB (0.51) MAPTHTTSMN1; SMN2NPC1LMNA
SCHEMBL3175750 0.80 EPHX2 (0.56) EPHX2MAPTHTTCYP2D6SMN1; SMN2
SCHEMBL5963579 0.80 EPHX2 (0.56) EPHX2MAPTHTTCYP2D6SMN1; SMN2
SCHEMBL5964054 0.79 EPHX2 (0.54) EPHX2MAPTHTTCYP2D6SMN1; SMN2
SCHEMBL10937020 0.73 MAPT (0.59) EPHX2MAPTHTTCYP2D6SMN1; SMN2
SCHEMBL5862047 0.72 HTT (0.55) EPHX2MAPTHTTCYP2D6SMN1; SMN2
SCHEMBL5049577 0.71 EPHX2 (1.00) EPHX2MAPTHTTCYP2D6SMN1; SMN2
SCHEMBL3454750 0.71 EPHX2 (1.00) EPHX2MAPTHTTCYP2D6SMN1; SMN2
SCHEMBL23567195 0.70 MAPT (0.47) EPHX2MAPTHTTSMN1; SMN2NPC1
SCHEMBL10684986 0.70 HTT (0.76) EPHX2MAPTHTTCYP2D6SMN1; SMN2

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-20100016399-A1 GLYT1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders AHMAD NADIA MAMOONA 2010-01-21 — — US disclosed
US-20100016399-A1 GLYT1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders AHMAD NADIA MAMOONA 2010-01-21 — — US disclosed
WO-2008092873-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 — — 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-20100016399-A1 GLYT1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders SLC18A2, SLC1A2, SLC1A1 EPHX2 3235/4885MAPT 107/4885HTT 151/4885

“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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