SCHEMBL14816004

SCHEMBL14816004

O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN2C[C@H](Oc3ccc(C4CC4)nn3)C[C@H]2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.43
▸ HTT P42858 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ KDM2B Q8NHM5 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ PKLR P30613 1/20 0.39
▸ HSD11B1 P28845 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
▸ 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
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GALK1 P51570 1/20 0.38
▸ 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
SCHEMBL15462503 1.00 CNR1 (0.43) CNR1HTTKDM4EKDM2BPKM
SCHEMBL14816159 0.90 KDM4E (0.43) CNR1HTTKDM4EKDM2BPKM
SCHEMBL14816165 0.90 KDM4E (0.43) CNR1HTTKDM4EKDM2BPKM
SCHEMBL14815957 0.90 KDM4E (0.43) CNR1HTTKDM4EKDM2BPKM
SCHEMBL14815759 0.90 KDM4E (0.43) CNR1HTTKDM4EKDM2BPKM
SCHEMBL14815999 0.90 MEN1 (0.41) CNR1KDM4EKDM2BHSD11B1TP53
SCHEMBL15462544 0.90 MEN1 (0.41) CNR1KDM4EKDM2BHSD11B1TP53
SCHEMBL14816114 0.89 HTT (0.42) CNR1HTTKDM4EKDM2BPKM
SCHEMBL15462449 0.89 HTT (0.42) CNR1HTTKDM4EKDM2BPKM
SCHEMBL14816011 0.88 KDM4E (0.42) CNR1HTTKDM4EKDM2BPKM

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-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
WO-2013049174-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-A]PYRAZINE SULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — WO 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 CNR1 279/4885HTT 3898/4885KDM4E 3640/4885

“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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