SCHEMBL14815622

SCHEMBL14815622

O=C(N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CCN2C1)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 3/20 0.52
▸ TP53 P04637 1/20 0.47
▸ GAA P10253 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ L3MBTL3 Q96JM7 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CHRNA7 P36544 1/20 0.44
▸ TGM2 P21980 1/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ SLC6A5 Q9Y345 3/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL14815389 0.91 TRPV4 (0.53) TRPV4TP53GAAALDH1A1KMT2A
SCHEMBL14815689 0.90 KMT2A (0.46) TRPV4GAAKMT2AL3MBTL3L3MBTL1
SCHEMBL14815962 0.90 TRPV4 (0.50) TRPV4GAAALDH1A1KMT2AMAPK1
SCHEMBL14815755 0.87 TRPV4 (0.45) TRPV4TP53ALDH1A1KMT2AL3MBTL3
SCHEMBL14815988 0.84 KMT2A (0.46) TP53ALDH1A1KMT2AL3MBTL3L3MBTL1
SCHEMBL14815072 0.82 L3MBTL3 (0.55) KMT2AL3MBTL3L3MBTL1CHRNA7MEN1
SCHEMBL14815632 0.82 EPHX2 (0.47) TP53KMT2AL3MBTL3L3MBTL1CHRNA7
SCHEMBL14815788 0.81 TRPV4 (0.47) TRPV4GAAKMT2ATGM2EPHX2
SCHEMBL14816185 0.81 KMT2A (0.55) TRPV4GAAKMT2AL3MBTL3L3MBTL1
SCHEMBL14815675 0.81 KMT2A (0.47) TRPV4TP53GAAALDH1A1KMT2A

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 75/4885TP53 2892/4885GAA 4476/4885

“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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