SCHEMBL9103858

SCHEMBL9103858

COC1CCN(CC(C(C)C)N(C)C(=O)c2cccc(C)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ DRD2 P14416 2/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL9103848 1.00 MAPT (0.43) MAPTRAB9AL3MBTL1DRD2DRD4
SCHEMBL9105476 0.86 ALDH1A1 (0.37) HPGD
SCHEMBL9105466 0.86 ALDH1A1 (0.37) HPGD
SCHEMBL9102325 0.86 MAPT (0.46) MAPTRAB9AL3MBTL1HPGDTDP1
SCHEMBL9103007 0.86 CHRNA1 (0.48) MAPTRAB9AL3MBTL1HPGD
SCHEMBL9103021 0.86 CHRNA1 (0.48) MAPTRAB9AL3MBTL1HPGD
SCHEMBL9102341 0.86 MAPT (0.46) MAPTRAB9AL3MBTL1HPGDTDP1
SCHEMBL9099470 0.85 CHRNA1 (0.50) MAPTRAB9AHPGDTDP1
SCHEMBL9276080 0.84 OPRK1 (0.46) —
SCHEMBL9105132 0.84 DRD4 (0.39) L3MBTL1DRD4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2013-06-06 — — US disclosed
US-8361998-B2 Compounds and their use as IKACh blockers ASTRAZENECA AB 2013-01-29 — — US disclosed
WO-2012074469-A1 NEW IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — WO disclosed
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — US 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-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 MAPT 4249/4885RAB9A 1554/4885L3MBTL1 1425/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 MAPT 4249/4885RAB9A 1554/4885L3MBTL1 1425/4885

“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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