SCHEMBL17592492

SCHEMBL17592492

CCCC[C@H]1CC[C@H](NC=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADH1B P00325 5/20 0.54
▸ ADH1A P07327 5/20 0.54
▸ CYP1A2 P05177 2/20 0.47
▸ ADH1C P00326 4/20 0.45
▸ ADH7 P40394 3/20 0.45
▸ ADH4 P08319 1/20 0.43
▸ LMNA P02545 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TLR4 O00206 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NAAA Q02083 1/20 0.35
▸ DRD2 P14416 2/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ DRD3 P35462 2/20 0.34

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
SCHEMBL17592320 1.00 ADH1B (0.54) ADH1BADH1ACYP1A2ADH1CADH7
SCHEMBL17592325 1.00 ADH1B (0.54) ADH1BADH1ACYP1A2ADH1CADH7
SCHEMBL17592432 0.94 ADH1B (0.52) ADH1BADH1ACYP1A2ADH1CADH7
SCHEMBL17592165 0.94 ADH1B (0.52) ADH1BADH1ACYP1A2ADH1CADH7
SCHEMBL17592164 0.94 ADH1B (0.52) ADH1BADH1ACYP1A2ADH1CADH7
SCHEMBL24362353 0.80 ADH1B (0.48) ADH1BADH1AADH1CADH7ADH4
SCHEMBL5691762 0.76 CYP1A2 (0.74) CYP1A2LMNAMAPK1HTTMAPT
SCHEMBL97616 0.76 — —
SCHEMBL17592078 0.76 ADH1B (0.52) ADH1BADH1AADH1CADH7ADH4
SCHEMBL28715579 0.75 CYP1A2 (0.54) CYP1A2LMNAMAPK1HTTMAPT

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 819/4885CYP1A2 279/4885
US-10301263-B2 Anticonvulsant compound PSEN2, BACE2, APP ADH1B 561/4885ADH1A 957/4885CYP1A2 230/4885

“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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