SCHEMBL17592565

SCHEMBL17592565

CCCC(C)CC1CCC(CN)CC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ PLG P00747 1/20 0.33
▸ PLAT P00750 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.31

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
SCHEMBL17592628 1.00 NCF1 (0.35) NCF1TSHRPLGPLATLMNA
SCHEMBL17592566 1.00 NCF1 (0.35) NCF1TSHRPLGPLATLMNA
SCHEMBL24272339 0.83 EPHX2 (0.36) TSHR
SCHEMBL19103036 0.83 NCF1 (0.38) NCF1PLGPLATLMNA
SCHEMBL21652402 0.82 MAPT (0.40) NCF1TSHRPLGPLATLMNA
SCHEMBL26999135 0.80 TSHR (0.39) TSHRMAPT
SCHEMBL18896335 0.79 TSHR (0.44) TSHRLMNAMAPT
SCHEMBL28098164 0.78 CYP1A2 (0.43) TSHR
SCHEMBL20932920 0.78 TSHR (0.33) TSHRMAPT
SCHEMBL19407071 0.76 TSHR (0.32) TSHR

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 3434/4885TSHR 2430/4885PLG 1367/4885
US-10301263-B2 Anticonvulsant compound PSEN2, BACE2, APP NCF1 3341/4885TSHR 2467/4885PLG 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.

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