SCHEMBL14816185

SCHEMBL14816185

O=C(N[C@H]1C[C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CCN2C1)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.55
▸ HTT P42858 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ XBP1 P17861 1/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ POLB P06746 1/20 0.46
▸ CNR1 P21554 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ LMNA P02545 2/20 0.43
▸ TRPV4 Q9HBA0 1/20 0.43
▸ L3MBTL3 Q96JM7 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CCR2 P41597 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42

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
SCHEMBL14815689 0.92 KMT2A (0.46) KMT2AHTTMEN1CNR1L3MBTL1
SCHEMBL14815389 0.90 TRPV4 (0.53) KMT2AHTTMAPTXBP1MEN1
SCHEMBL14815675 0.85 KMT2A (0.47) KMT2AHTTMAPTMEN1POLB
SCHEMBL14815882 0.85 KMT2A (0.43) KMT2AHTTMAPTXBP1MEN1
SCHEMBL14815962 0.83 TRPV4 (0.50) KMT2AMEN1POLBL3MBTL1LMNA
SCHEMBL14815282 0.83 HSD11B1 (0.53) KMT2AMEN1POLBL3MBTL1LMNA
SCHEMBL14833207 0.83 HSD11B1 (0.53) KMT2AMEN1POLBL3MBTL1LMNA
SCHEMBL14815622 0.81 TRPV4 (0.52) KMT2AHTTMEN1L3MBTL1LMNA
SCHEMBL14815069 0.81 CCR2 (0.54) KMT2AMEN1POLBL3MBTL1LMNA
SCHEMBL14833216 0.81 CCR2 (0.54) KMT2AMEN1POLBL3MBTL1LMNA

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 1876/4885HTT 3898/4885MAPT 3175/4885

“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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