SCHEMBL14816231

SCHEMBL14816231

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.44
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPY1R P25929 1/20 0.41
▸ NPY2R P49146 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TRPV4 Q9HBA0 8/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ USP5 P45974 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL14815391 0.90 EPHX2 (0.41) EPHX2HPGDTRPV4
SCHEMBL14815788 0.80 TRPV4 (0.47) EPHX2MAPTMEN1KMT2ATRPV4
SCHEMBL14815882 0.79 KMT2A (0.43) EPHX2MAPTMEN1KMT2APTGDR2
SCHEMBL14815632 0.78 EPHX2 (0.47) EPHX2MAPTMEN1KMT2ALMNA
SCHEMBL14815755 0.78 TRPV4 (0.45) EPHX2MEN1KMT2AALDH1A1PTGDR2
SCHEMBL14815877 0.77 PTGDR (0.42) EPHX2MAPTMEN1KMT2APTGDR2
SCHEMBL14815675 0.74 KMT2A (0.47) EPHX2MAPTMEN1KMT2AALDH1A1
SCHEMBL14815988 0.70 KMT2A (0.46) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL14815622 0.68 TRPV4 (0.52) EPHX2MEN1KMT2AALDH1A1TRPV4
SCHEMBL14833365 0.67 MGLL (0.46) MEN1KMT2AHPGDLMNA

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 1929/4885MAPT 3175/4885MEN1 1999/4885

“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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