SCHEMBL17592191

SCHEMBL17592191

CCCOCC1CCC(CN)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PLG P00747 1/20 0.34
PLAT P00750 1/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL17592647 1.00 NCF1 (0.37) NCF1SMN1; SMN2PLGPLATLMNA
SCHEMBL17592192 1.00 NCF1 (0.37) NCF1SMN1; SMN2PLGPLATLMNA
SCHEMBL8284727 0.89 SMN1; SMN2 (0.48) NCF1SMN1; SMN2PLGPLATLMNA
SCHEMBL127998 0.89
SCHEMBL16108499 0.89 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1TDP1
SCHEMBL20337441 0.83 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1TDP1
SCHEMBL9645385 0.82 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TDP1
SCHEMBL9645379 0.82 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TDP1
SCHEMBL9645375 0.82 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TDP1
SCHEMBL14039649 0.80 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1TDP1

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 NCF1 3434/4885SMN1; SMN2 1964/4885PLG 1367/4885
US-10301263-B2 Anticonvulsant compound PSEN2, BACE2, APP NCF1 3341/4885SMN1; SMN2 2134/4885PLG 1351/4885

“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.