SCHEMBL14815689

SCHEMBL14815689

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CNR1 P21554 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ CCR2 P41597 6/20 0.43
▸ TRPV4 Q9HBA0 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RORC P51449 1/20 0.42
▸ L3MBTL3 Q96JM7 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GAA P10253 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
SCHEMBL14816185 0.92 KMT2A (0.55) KMT2AMEN1CNR1LMNACCR2
SCHEMBL14815622 0.90 TRPV4 (0.52) KMT2AMEN1LMNATRPV4HTT
SCHEMBL14815755 0.87 TRPV4 (0.45) KMT2AMEN1TRPV4L3MBTL3L3MBTL1
SCHEMBL14815335 0.83 MGLL (0.54) KMT2AMEN1LMNACCR2L3MBTL3
SCHEMBL14815962 0.82 TRPV4 (0.50) KMT2AMEN1LMNATRPV4L3MBTL3
SCHEMBL14815988 0.82 KMT2A (0.46) KMT2AMEN1LMNAHTTL3MBTL3
SCHEMBL14815389 0.82 TRPV4 (0.53) KMT2AMEN1LMNATRPV4HTT
SCHEMBL14833264 0.81 MEN1 (0.53) KMT2AMEN1LMNACCR2L3MBTL3
SCHEMBL14815112 0.81 MEN1 (0.53) KMT2AMEN1LMNACCR2L3MBTL3
SCHEMBL14815882 0.81 KMT2A (0.43) KMT2AMEN1LMNATRPV4HTT

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 1999/4885CNR1 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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