SCHEMBL14815744

SCHEMBL14815744

CC(C)(C)c1cccc(S(=O)(=O)N2CCN3C[C@H](Oc4cnc(C5CC5)cn4)C[C@H]3C2)n1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 10/20 0.34
▸ NAAA Q02083 6/20 0.33
▸ GPR119 Q8TDV5 2/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32

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
SCHEMBL15462429 1.00 HSD11B1 (0.34) HSD11B1NAAAGPR119MCHR1NR1H2
SCHEMBL14815852 0.92 PSEN1 (0.36) HSD11B1NAAAGPR119
SCHEMBL14816057 0.87 NAAA (0.31) HSD11B1NAAAGPR119
SCHEMBL15462500 0.87 NAAA (0.31) HSD11B1NAAAGPR119
SCHEMBL14815848 0.86 MCHR1 (0.35) HSD11B1NAAAMCHR1NR1H2NR1H3
SCHEMBL15462425 0.86 MCHR1 (0.35) HSD11B1NAAAMCHR1NR1H2NR1H3
SCHEMBL15462450 0.86 OPRM1 (0.32) —
SCHEMBL14815704 0.86 OPRM1 (0.32) —
SCHEMBL14815435 0.85 HSD11B1 (0.37) HSD11B1NAAA
SCHEMBL15462493 0.85 HSD11B1 (0.37) HSD11B1NAAA

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 3 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

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 HSD11B1 3627/4885NAAA 2548/4885GPR119 2105/4885

“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