SCHEMBL14815755

SCHEMBL14815755

O=C(N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3Cl)CCN2C1)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 5/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ L3MBTL3 Q96JM7 1/20 0.42
▸ LIPE Q05469 1/20 0.42
▸ CHRNA7 P36544 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HCRTR1 O43613 1/20 0.40
▸ HCRTR2 O43614 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ GPR6 P46095 1/20 0.39
▸ SLC6A5 Q9Y345 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ PTGDR Q13258 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL14815882 0.94 KMT2A (0.43) TRPV4L3MBTL1L3MBTL3CNR2MEN1
SCHEMBL14815877 0.93 PTGDR (0.42) TRPV4L3MBTL1L3MBTL3CNR2MEN1
SCHEMBL14815622 0.87 TRPV4 (0.52) TRPV4L3MBTL1L3MBTL3CHRNA7MEN1
SCHEMBL14815675 0.87 KMT2A (0.47) TRPV4L3MBTL1L3MBTL3CNR2MEN1
SCHEMBL14815689 0.87 KMT2A (0.46) TRPV4L3MBTL1L3MBTL3MEN1KMT2A
SCHEMBL14815632 0.86 EPHX2 (0.47) L3MBTL1L3MBTL3LIPECHRNA7CNR2
SCHEMBL14815391 0.85 EPHX2 (0.41) TRPV4HCRTR1HCRTR2EPHX2GPR6
SCHEMBL14815988 0.85 KMT2A (0.46) L3MBTL1L3MBTL3LIPECHRNA7MEN1
SCHEMBL14815962 0.79 TRPV4 (0.50) TRPV4L3MBTL1L3MBTL3MEN1KMT2A
SCHEMBL14815389 0.79 TRPV4 (0.53) TRPV4L3MBTL1L3MBTL3MEN1KMT2A

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 TRPV4 75/4885L3MBTL1 2446/4885L3MBTL3 3225/4885

“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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