SCHEMBL14815847

SCHEMBL14815847

O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N1CCN2C[C@@H](Nc3cccc(C(F)(F)F)n3)C[C@H]2C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPR6 P46095 1/20 0.40
▸ TRPV4 Q9HBA0 11/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CCR6 P51684 1/20 0.37
▸ USP2 O75604 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HSD11B1 P28845 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35

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
SCHEMBL14816000 0.85 CNR1 (0.40) ALDH1A1MEN1KMT2ACCR6HSD11B1
SCHEMBL14815677 0.81 TRPV4 (0.39) GPR6TRPV4ALDH1A1MEN1TSHR
SCHEMBL14815755 0.77 TRPV4 (0.45) GPR6TRPV4ALDH1A1MEN1TSHR
SCHEMBL14815882 0.76 KMT2A (0.43) GPR6TRPV4MEN1TSHRKMT2A
SCHEMBL14815877 0.74 PTGDR (0.42) GPR6TRPV4MEN1KMT2AL3MBTL1
SCHEMBL14815391 0.73 EPHX2 (0.41) GPR6TRPV4TSHRGAAHPGD
SCHEMBL14833328 0.73 CYP3A4 (0.45) HSD11B1HCRTR1HCRTR2
SCHEMBL14814596 0.73 CYP3A4 (0.45) HSD11B1HCRTR1HCRTR2
SCHEMBL14815138 0.72 PHGDH (0.43) HSD11B1HCRTR2
SCHEMBL14815464 0.71 MGLL (0.42) HSD11B1HCRTR2

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 GPR6 2267/4885TRPV4 75/4885ALDH1A1 1439/4885

“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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