SCHEMBL14815501

SCHEMBL14815501

CC(C)(C)c1ccc(CO[C@@H]2C[C@H]3CN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CCN3C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.46
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ PKLR P30613 1/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ CNR1 P21554 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NAAA Q02083 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ HSD11B1 P28845 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL15462543 1.00 TDP1 (0.46) TDP1LMNAALDH1A1USP2HTT
SCHEMBL15462433 0.95 LMNA (0.46) LMNAALDH1A1USP2HTTGAA
SCHEMBL14815746 0.95 LMNA (0.46) LMNAALDH1A1USP2HTTGAA
SCHEMBL15462520 0.89 MEN1 (0.44) TDP1LMNAALDH1A1USP2HTT
SCHEMBL14815531 0.89 MEN1 (0.44) TDP1LMNAALDH1A1USP2HTT
SCHEMBL14815751 0.86 MEN1 (0.46) LMNAALDH1A1USP2HTTGAA
SCHEMBL14815757 0.78 SCN3A (0.46) LMNAALDH1A1USP2HTTGAA
SCHEMBL15462542 0.78 SCN3A (0.46) LMNAALDH1A1USP2HTTGAA
SCHEMBL15462452 0.77 KDM4E (0.44) LMNAALDH1A1USP2HTTGAA
SCHEMBL14815503 0.77 KDM4E (0.44) LMNAALDH1A1USP2HTTGAA

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-20130085141-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINE SULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — US claimed
US-8648074-B2 Substituted octahydropyrrolo[1,2-a]pyrazine sulfonamides as calcium channel blockers ABBVIE INC. (US) 2014-02-11 — — US disclosed
US-20130085141-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINE SULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — US disclosed
WO-2013049174-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-A]PYRAZINE SULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — 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-20130085141-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINE SULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1C, CACNA1D, CACNA1A TDP1 3843/4885LMNA 1787/4885ALDH1A1 1439/4885

“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.

Send feedback