SCHEMBL14815422

SCHEMBL14815422

O=S(=O)(c1ccc(F)cc1F)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 3/20 0.39
▸ ALOX5AP P20292 3/20 0.37
▸ FEN1 P39748 3/20 0.37
▸ SCN3A Q9NY46 1/20 0.36
▸ PKLR P30613 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ HTR6 P50406 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ TDO2 P48775 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ COMT P21964 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
SCHEMBL14815945 0.93 PKM (0.40) PKMALOX5APFEN1SCN3AAKR1C3
SCHEMBL14815851 0.91 CYP19A1 (0.40) ALOX5APFEN1TDO2SMN1; SMN2NPC1
SCHEMBL15462488 0.91 CYP19A1 (0.40) ALOX5APFEN1TDO2SMN1; SMN2NPC1
SCHEMBL14816109 0.91 ALDH1A1 (0.40) ALOX5APFEN1SCN3AALDH1A1CA2
SCHEMBL15462456 0.91 ALDH1A1 (0.40) ALOX5APFEN1SCN3AALDH1A1CA2
SCHEMBL14815377 0.90 SMN1; SMN2 (0.36) ALOX5APFEN1ALDH1A1MAPTTDO2
SCHEMBL15462420 0.90 SMN1; SMN2 (0.36) ALOX5APFEN1ALDH1A1MAPTTDO2
SCHEMBL14815787 0.89 ALOX5AP (0.41) ALOX5APFEN1ALDH1A1SMN1; SMN2
SCHEMBL14815679 0.88 CYP19A1 (0.37) PKMALOX5APFEN1SCN3AALDH1A1
SCHEMBL15462473 0.87 MAPT (0.39) PKMALDH1A1MAPT

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 PKM 2827/4885ALOX5AP 649/4885FEN1 4851/4885

“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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