SCHEMBL17592078

SCHEMBL17592078

CC(C)CCC1CCC(NC=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADH1B P00325 5/20 0.52
▸ ADH1A P07327 5/20 0.52
▸ ADH1C P00326 4/20 0.43
▸ ADH7 P40394 2/20 0.43
▸ ADH4 P08319 1/20 0.42
▸ DRD2 P14416 3/20 0.34
▸ HTR2A P28223 3/20 0.34
▸ DRD3 P35462 3/20 0.34
▸ GAA P10253 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL24362353 0.89 ADH1B (0.48) ADH1BADH1AADH1CADH7ADH4
SCHEMBL1678779 0.77 — —
SCHEMBL17592320 0.76 ADH1B (0.54) ADH1BADH1AADH1CADH7ADH4
SCHEMBL17592492 0.76 ADH1B (0.54) ADH1BADH1AADH1CADH7ADH4
SCHEMBL17592325 0.76 ADH1B (0.54) ADH1BADH1AADH1CADH7ADH4
SCHEMBL29322931 0.75 ALDH1A1 (0.33) GAARAB9ASMN1; SMN2
SCHEMBL23945052 0.75 MAPT (0.31) —
SCHEMBL17592164 0.74 ADH1B (0.52) ADH1BADH1AADH1CADH7ADH4
SCHEMBL17592432 0.74 ADH1B (0.52) ADH1BADH1AADH1CADH7ADH4
SCHEMBL17592165 0.74 ADH1B (0.52) ADH1BADH1AADH1CADH7ADH4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305859-A1 An Anticonvulsant Compound ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2017-10-26 — — US claimed
EP-3191088-A1 AN ANTICONVULSANT COMPOUND Royal Holloway And Bedford New College (GB) 2017-07-19 — — EP claimed
WO-2016038379-A1 AN ANTICONVULSANT COMPOUND ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2016-03-17 — — WO claimed
US-10301263-B2 Anticonvulsant compound ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2019-05-28 — — US disclosed
US-20170305859-A1 An Anticonvulsant Compound ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2017-10-26 — — US disclosed
EP-3191088-A1 AN ANTICONVULSANT COMPOUND Royal Holloway And Bedford New College (GB) 2017-07-19 — — EP disclosed
WO-2016038379-A1 AN ANTICONVULSANT COMPOUND ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2016-03-17 — — 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 (2 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-20170305859-A1 An Anticonvulsant Compound PSEN2, BACE2, APP ADH1B 560/4885ADH1A 819/4885ADH1C 1285/4885
US-10301263-B2 Anticonvulsant compound PSEN2, BACE2, APP ADH1B 561/4885ADH1A 957/4885ADH1C 1389/4885

“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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