SCHEMBL14816165

SCHEMBL14816165

O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN2C[C@@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ HTT P42858 2/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ KDM2B Q8NHM5 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ PKLR P30613 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SCN3A Q9NY46 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ AKR1C3 P42330 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
SCHEMBL14815759 1.00 KDM4E (0.43) KDM4ECNR1HTTHSD11B1KDM2B
SCHEMBL14816159 1.00 KDM4E (0.43) KDM4ECNR1HTTHSD11B1KDM2B
SCHEMBL14815957 1.00 KDM4E (0.43) KDM4ECNR1HTTHSD11B1KDM2B
SCHEMBL14816250 0.97 CNR1 (0.44) KDM4ECNR1HTTHSD11B1KDM2B
SCHEMBL15462499 0.97 CNR1 (0.44) KDM4ECNR1HTTHSD11B1KDM2B
SCHEMBL15794201 0.95 CNR1 (0.42) KDM4ECNR1HTTHSD11B1KDM2B
SCHEMBL15793972 0.95 CNR1 (0.42) KDM4ECNR1HTTHSD11B1KDM2B
SCHEMBL15793880 0.95 CNR1 (0.42) KDM4ECNR1HTTHSD11B1KDM2B
SCHEMBL15794031 0.95 CNR1 (0.42) KDM4ECNR1HTTHSD11B1KDM2B
SCHEMBL14816060 0.93 SCN3A (0.37) KDM4ECNR1HTTHSD11B1KDM2B

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 3 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-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 KDM4E 3640/4885CNR1 279/4885HTT 3898/4885

“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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