SCHEMBL2312877

SCHEMBL2312877

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.62
▸ CNR1 P21554 1/20 0.61
▸ GAA P10253 2/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ HTT P42858 1/20 0.57
▸ PKM P14618 2/20 0.54
▸ PKLR P30613 1/20 0.54
▸ TGM2 P21980 5/20 0.53
▸ F13A1 P00488 4/20 0.53
▸ STS P08842 1/20 0.52
▸ TGM1 P22735 1/20 0.52
▸ CACNA1B Q00975 1/20 0.52
▸ TGFBR1 P36897 1/20 0.52

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
SCHEMBL1181678 0.86 MEN1 (0.58) PKMTGM2F13A1TGM1
SCHEMBL309243 0.85 TGM2 (0.64) CNR1GAAPKMTGM2F13A1
SCHEMBL7737635 0.84 TGM2 (0.55) PKMTGM2F13A1STSTGM1
SCHEMBL14696050 0.84 GAA (0.55) LMNAGAASMN1; SMN2HTTTGM2
SCHEMBL18701978 0.84 LMNA (0.66) LMNACNR1GAASMN1; SMN2HTT
SCHEMBL18711333 0.84 LMNA (0.69) LMNACNR1GAASMN1; SMN2HTT
SCHEMBL5424584 0.83 PKLR (0.56) PKMPKLRTGM2F13A1TGM1
SCHEMBL2378015 0.83 TGM2 (0.54) TGM2F13A1TGM1
SCHEMBL20408701 0.83 SMN1; SMN2 (0.62) LMNACNR1GAASMN1; SMN2HTT
SCHEMBL15100856 0.83 LMNA (0.61) LMNACNR1GAASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116606292-A Pyrido [1,2-a ] pyrimidinone derivatives containing sulfonamide unit, preparation method and application thereof 贵州大学 2023-08-18 — — CN disclosed
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 — — US disclosed
EP-2350002-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-08-03 — — EP disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 — — US disclosed
WO-2010039947-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-08 — — 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 (1 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-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1S, CACNA1D LMNA 577/4885CNR1 94/4885GAA 3281/4885

“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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