SCHEMBL14815391

SCHEMBL14815391

O=C(N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3Cl)CCN2C1)c1ccc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.41
▸ PKM P14618 1/20 0.40
▸ TRPV4 Q9HBA0 7/20 0.40
▸ CRHR1 P34998 4/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ GPR6 P46095 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL14816231 0.90 EPHX2 (0.44) EPHX2TRPV4HPGD
SCHEMBL14815882 0.90 KMT2A (0.43) EPHX2TRPV4HCRTR1HCRTR2GPR6
SCHEMBL14815788 0.87 TRPV4 (0.47) EPHX2TRPV4GAATSHR
SCHEMBL14815877 0.86 PTGDR (0.42) EPHX2TRPV4HCRTR1HCRTR2GPR6
SCHEMBL14815755 0.85 TRPV4 (0.45) EPHX2TRPV4HCRTR1HCRTR2GPR6
SCHEMBL14815675 0.83 KMT2A (0.47) EPHX2TRPV4HCRTR1HCRTR2GAA
SCHEMBL14833808 0.79 CRHR1 (0.38) TRPV4CRHR1CRHR2HPGD
SCHEMBL14815632 0.79 EPHX2 (0.47) EPHX2PKM
SCHEMBL14815389 0.75 TRPV4 (0.53) EPHX2TRPV4GAA
SCHEMBL14816185 0.75 KMT2A (0.55) TRPV4GAATSHR

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 EPHX2 1929/4885PKM 2827/4885TRPV4 75/4885

“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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