SCHEMBL3175750

SCHEMBL3175750

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.56
▸ HTT P42858 2/20 0.55
▸ MAPT P10636 3/20 0.55
▸ ALDH1A1 P00352 4/20 0.51
▸ ADRB2 P07550 1/20 0.51
▸ CYP2D6 P10635 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ CDK5 Q00535 1/20 0.46
▸ CDK5R1 Q15078 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KCNQ2 O43526 1/20 0.44

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
SCHEMBL3183655 0.82 ALDH1A1 (0.54) HTTMAPTALDH1A1ADRB2SMN1; SMN2
SCHEMBL5963579 0.81 EPHX2 (0.56) EPHX2HTTMAPTALDH1A1CYP2D6
SCHEMBL5964054 0.80 EPHX2 (0.54) EPHX2HTTMAPTALDH1A1CYP2D6
SCHEMBL3172394 0.80 EPHX2 (0.54) EPHX2HTTMAPTALDH1A1CYP2D6
SCHEMBL17311951 0.74 ALDH1A1 (0.55) HTTMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL10937020 0.74 MAPT (0.59) EPHX2HTTMAPTALDH1A1CYP2D6
SCHEMBL5862047 0.73 HTT (0.55) EPHX2HTTMAPTALDH1A1CYP2D6
SCHEMBL4535768 0.72 MAPT (0.49) EPHX2HTTMAPTALDH1A1ADRB2
SCHEMBL3454750 0.71 EPHX2 (1.00) EPHX2HTTMAPTALDH1A1CYP2D6
SCHEMBL5049577 0.71 EPHX2 (1.00) EPHX2HTTMAPTALDH1A1CYP2D6

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 3235/4885HTT 151/4885MAPT 107/4885

“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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