SCHEMBL14816150

SCHEMBL14816150

O=S(=O)(c1cccc(N2CCOCC2)n1)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 9/20 0.40
▸ LRRK2 Q5S007 1/20 0.33
▸ ADRA1A P35348 2/20 0.32
▸ PIK3CA P42336 2/20 0.32
▸ AKT1 P31749 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ ACACB O00763 2/20 0.32
▸ DGAT2 Q96PD7 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
SCHEMBL15462448 1.00 HSD11B1 (0.40) HSD11B1LRRK2ADRA1APIK3CAAKT1
SCHEMBL15462493 0.93 HSD11B1 (0.37) HSD11B1
SCHEMBL14815435 0.93 HSD11B1 (0.37) HSD11B1
SCHEMBL14815399 0.92 HSD11B1 (0.38) HSD11B1ACACB
SCHEMBL15462533 0.92 HSD11B1 (0.38) HSD11B1ACACB
SCHEMBL15462459 0.85 ALDH1A1 (0.50) ADRA1AALDH1A1
SCHEMBL14816160 0.85 ALDH1A1 (0.50) ADRA1AALDH1A1
SCHEMBL15462429 0.83 HSD11B1 (0.34) HSD11B1
SCHEMBL14815852 0.83 PSEN1 (0.36) HSD11B1
SCHEMBL14815744 0.83 HSD11B1 (0.34) HSD11B1

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 3627/4885LRRK2 3356/4885ADRA1A 325/4885

“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