SCHEMBL14815852

SCHEMBL14815852

O=S(=O)(c1cccc(C(F)(F)F)n1)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 3/20 0.36
▸ PSEN2 P49810 3/20 0.36
▸ APH1B Q8WW43 3/20 0.36
▸ NCSTN Q92542 3/20 0.36
▸ APH1A Q96BI3 3/20 0.36
▸ PSENEN Q9NZ42 3/20 0.36
▸ SMYD3 Q9H7B4 1/20 0.35
▸ HSD11B1 P28845 8/20 0.34
▸ SCN3A Q9NY46 2/20 0.33
▸ GPR119 Q8TDV5 3/20 0.33
▸ NAAA Q02083 2/20 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
SCHEMBL14815744 0.92 HSD11B1 (0.34) HSD11B1GPR119NAAA
SCHEMBL15462429 0.92 HSD11B1 (0.34) HSD11B1GPR119NAAA
SCHEMBL14816215 0.87 SCN3A (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15462406 0.87 SCN3A (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14815759 0.86 KDM4E (0.43) HSD11B1SCN3A
SCHEMBL14815957 0.86 KDM4E (0.43) HSD11B1SCN3A
SCHEMBL14816165 0.86 KDM4E (0.43) HSD11B1SCN3A
SCHEMBL14816159 0.86 KDM4E (0.43) HSD11B1SCN3A
SCHEMBL15462465 0.86 GPR119 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14815833 0.86 GPR119 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A

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-8648074-B2 Substituted octahydropyrrolo[1,2-a]pyrazine sulfonamides as calcium channel blockers ABBVIE INC. (US) 2014-02-11 — — US claimed
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

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 PSEN1 629/4885PSEN2 424/4885APH1B 506/4885

“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