SCHEMBL14815788

SCHEMBL14815788

O=C(N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CCN2C1)c1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 5/20 0.47
▸ GAA P10253 4/20 0.43
▸ EPHX2 P34913 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KMT2A Q03164 5/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TRPA1 O75762 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ TGM2 P21980 1/20 0.38

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 0.88 TRPV4 (0.53) TRPV4GAAEPHX2MAPTXBP1
SCHEMBL14815391 0.87 EPHX2 (0.41) TRPV4GAAEPHX2TSHR
SCHEMBL14815962 0.85 TRPV4 (0.50) TRPV4GAAEPHX2POLBLMNA
SCHEMBL14815622 0.81 TRPV4 (0.52) TRPV4GAAEPHX2HTTLMNA
SCHEMBL14816185 0.80 KMT2A (0.55) TRPV4GAAMAPTXBP1HTT
SCHEMBL14816231 0.80 EPHX2 (0.44) TRPV4EPHX2MAPTLMNAKMT2A
SCHEMBL14815882 0.76 KMT2A (0.43) TRPV4GAAEPHX2MAPTXBP1
SCHEMBL14815675 0.76 KMT2A (0.47) TRPV4GAAEPHX2MAPTHTT
SCHEMBL14815689 0.74 KMT2A (0.46) TRPV4GAAHTTLMNASMN1; SMN2
SCHEMBL14816012 0.74 TRPV4 (0.50) TRPV4GAAEPHX2LMNAKMT2A

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 75/4885GAA 4476/4885EPHX2 1929/4885

“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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