SCHEMBL14816060

SCHEMBL14816060

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HSD11B1 P28845 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTR6 P50406 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDM2B Q8NHM5 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PKM P14618 1/20 0.33

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
SCHEMBL15462540 1.00 SCN3A (0.37) SCN3AKDM4ECNR1L3MBTL1HSD11B1
SCHEMBL14815957 0.93 KDM4E (0.43) SCN3AKDM4ECNR1L3MBTL1HSD11B1
SCHEMBL15462425 0.93 MCHR1 (0.35) SCN3AKDM4ECNR1L3MBTL1HSD11B1
SCHEMBL14816165 0.93 KDM4E (0.43) SCN3AKDM4ECNR1L3MBTL1HSD11B1
SCHEMBL14815848 0.93 MCHR1 (0.35) SCN3AKDM4ECNR1L3MBTL1HSD11B1
SCHEMBL14816159 0.93 KDM4E (0.43) SCN3AKDM4ECNR1L3MBTL1HSD11B1
SCHEMBL14815759 0.93 KDM4E (0.43) SCN3AKDM4ECNR1L3MBTL1HSD11B1
SCHEMBL20328479 0.92 SCN3A (0.34) SCN3AKDM4ECNR1L3MBTL1HSD11B1
SCHEMBL15462499 0.90 CNR1 (0.44) SCN3AKDM4ECNR1L3MBTL1HSD11B1
SCHEMBL14816250 0.90 CNR1 (0.44) SCN3AKDM4ECNR1L3MBTL1HSD11B1

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
WO-2018118101-A1 T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2018-06-28 — — WO disclosed
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 SCN3A 116/4885KDM4E 3640/4885CNR1 279/4885

“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.

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