SCHEMBL14815848

SCHEMBL14815848

CC(C)(C)c1cccc(S(=O)(=O)N2CCN3C[C@H](Oc4cnc(C5CC5)cn4)C[C@H]3C2)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.35
▸ SCN3A Q9NY46 1/20 0.34
▸ GBA1 P04062 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ BCL9 O00512 1/20 0.34
▸ CTNNB1 P35222 1/20 0.34
▸ HSD11B1 P28845 3/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ HTR6 P50406 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 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
SCHEMBL15462425 1.00 MCHR1 (0.35) MCHR1SCN3AGBA1KDM4ECNR1
SCHEMBL15462540 0.93 SCN3A (0.37) SCN3AKDM4ECNR1HSD11B1L3MBTL1
SCHEMBL20328479 0.93 SCN3A (0.34) MCHR1SCN3AKDM4ECNR1HSD11B1
SCHEMBL14816060 0.93 SCN3A (0.37) SCN3AKDM4ECNR1HSD11B1L3MBTL1
SCHEMBL14816159 0.92 KDM4E (0.43) SCN3AKDM4ECNR1HSD11B1L3MBTL1
SCHEMBL14815759 0.92 KDM4E (0.43) SCN3AKDM4ECNR1HSD11B1L3MBTL1
SCHEMBL14816165 0.92 KDM4E (0.43) SCN3AKDM4ECNR1HSD11B1L3MBTL1
SCHEMBL14815957 0.92 KDM4E (0.43) SCN3AKDM4ECNR1HSD11B1L3MBTL1
SCHEMBL14815899 0.90 HSD11B1 (0.44) MCHR1HSD11B1GAA
SCHEMBL14815916 0.90 HSD11B1 (0.44) MCHR1HSD11B1GAA

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 MCHR1 3064/4885SCN3A 116/4885GBA1 1509/4885

“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