SCHEMBL17592558

SCHEMBL17592558

CCC(C)CC1CCC(N)CC1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 1/20 0.33
▸ CPB2 Q96IY4 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
SCHEMBL17592557 1.00 SMYD3 (0.33) SMYD3CPB2
SCHEMBL17592627 1.00 SMYD3 (0.33) SMYD3CPB2
SCHEMBL5655242 0.88 — —
SCHEMBL19103036 0.82 NCF1 (0.38) —
SCHEMBL13246020 0.81 — —
SCHEMBL16411251 0.78 SHBG (0.39) CPB2
SCHEMBL8352329 0.78 CPB2 (0.33) SMYD3CPB2
SCHEMBL105388 0.78 CPB2 (0.33) SMYD3CPB2
SCHEMBL102088 0.78 CPB2 (0.33) SMYD3CPB2
SCHEMBL23128664 0.78 OPRM1 (0.39) —

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 8 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
US-20170283651-A1 COATING COMPOSITIONS FOR USE WITH AN OVERCOATED PHOTORESIST DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2017-10-05 — — 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 SMYD3 3754/4885CPB2 807/4885
US-10301263-B2 Anticonvulsant compound PSEN2, BACE2, APP SMYD3 3651/4885CPB2 852/4885

“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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