SCHEMBL14816192

SCHEMBL14816192

O=S(=O)(c1ccccc1C(F)(F)F)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ LIPE Q05469 1/20 0.38
▸ CHRM4 P08173 1/20 0.37
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ GBA1 P04062 1/20 0.35
▸ CTSS P25774 3/20 0.35
▸ POLB P06746 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ MAPT P10636 1/20 0.34

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) KMT2AMEN1LIPEALOX5APFEN1
SCHEMBL14815998 0.89 SCN3A (0.37) KMT2AMEN1LIPEALOX5APFEN1
SCHEMBL14815787 0.88 ALOX5AP (0.41) KMT2AALOX5APFEN1ALDH1A1MAPK1
SCHEMBL14815821 0.86 NAAA (0.39) ALOX5APFEN1AKR1C3
SCHEMBL15462487 0.86 NAAA (0.39) ALOX5APFEN1AKR1C3
SCHEMBL14815542 0.85 CNR1 (0.43) KMT2AMEN1ALOX5APFEN1AKR1C3
SCHEMBL15462405 0.85 CNR1 (0.43) KMT2AMEN1ALOX5APFEN1AKR1C3
SCHEMBL14815967 0.85 ALOX5AP (0.39) ALOX5APFEN1MAPK1
SCHEMBL14815839 0.84 KDM4E (0.41) ALOX5APFEN1AKR1C3ALDH1A1GBA1
SCHEMBL15462465 0.84 GPR119 (0.38) LMNA

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 KMT2A 1876/4885MEN1 1999/4885LIPE 4568/4885

“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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