SCHEMBL14816010

SCHEMBL14816010

N#Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.37
▸ NR1H3 Q13133 2/20 0.37
▸ TRPV4 Q9HBA0 11/20 0.36
▸ SCN3A Q9NY46 1/20 0.35
▸ LIPG Q9Y5X9 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ ALOX5AP P20292 2/20 0.34
▸ FEN1 P39748 2/20 0.34
▸ USP30 Q70CQ3 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
SCHEMBL15462531 0.89 SCN3A (0.37) SCN3ALIPGGPR119ALOX5APFEN1
SCHEMBL14815998 0.89 SCN3A (0.37) SCN3ALIPGGPR119ALOX5APFEN1
SCHEMBL14815884 0.89 SCN3A (0.40) NR1H2NR1H3SCN3ALIPGGPR119
SCHEMBL14815845 0.88 SGK1 (0.36) TRPV4GPR119
SCHEMBL14816228 0.88 EPHX2 (0.39) SCN3ALIPGGPR119ALOX5APFEN1
SCHEMBL14833334 0.88 EPHX2 (0.39) SCN3ALIPGGPR119ALOX5APFEN1
SCHEMBL14815992 0.88 MEN1 (0.45) TRPV4SCN3ALIPGGPR119ALOX5AP
SCHEMBL15462411 0.88 MEN1 (0.45) TRPV4SCN3ALIPGGPR119ALOX5AP
SCHEMBL14816013 0.87 NPC1 (0.44) SCN3AALOX5APFEN1
SCHEMBL14815839 0.86 KDM4E (0.41) TRPV4ALOX5APFEN1

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 NR1H2 1896/4885NR1H3 3304/4885TRPV4 75/4885

“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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