SCHEMBL17592165

SCHEMBL17592165

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADH1B P00325 6/20 0.52
▸ ADH1A P07327 6/20 0.52
▸ ADH1C P00326 5/20 0.43
▸ ADH7 P40394 4/20 0.43
▸ ADH4 P08319 2/20 0.42
▸ CYP1A2 P05177 3/20 0.41
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ EPHX1 P07099 1/20 0.36
▸ CCR2 P41597 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ DRD2 P14416 1/20 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
SCHEMBL17592164 1.00 ADH1B (0.52) ADH1BADH1AADH1CADH7ADH4
SCHEMBL17592432 1.00 ADH1B (0.52) ADH1BADH1AADH1CADH7ADH4
SCHEMBL17592492 0.94 ADH1B (0.54) ADH1BADH1AADH1CADH7ADH4
SCHEMBL17592325 0.94 ADH1B (0.54) ADH1BADH1AADH1CADH7ADH4
SCHEMBL17592320 0.94 ADH1B (0.54) ADH1BADH1AADH1CADH7ADH4
SCHEMBL24362353 0.79 ADH1B (0.48) ADH1BADH1AADH1CADH7ADH4
SCHEMBL10569491 0.77 CYP1A2 (0.62) CYP1A2CYP2D6CYP2C9CYP2C19TP53
SCHEMBL10569484 0.77 CYP1A2 (0.62) CYP1A2CYP2D6CYP2C9CYP2C19TP53
SCHEMBL11124019 0.77 CYP1A2 (0.62) CYP1A2CYP2D6CYP2C9CYP2C19TP53
SCHEMBL183947 0.77 — —

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.

Send feedback