SCHEMBL14815513

SCHEMBL14815513

O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN2C[C@H](Oc3cccc(Br)n3)C[C@H]2C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.43
▸ PKM P14618 1/20 0.41
▸ PKLR P30613 1/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KDM2B Q8NHM5 1/20 0.40
▸ GBA1 P04062 2/20 0.40
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 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
SCHEMBL15462471 1.00 HTT (0.43) HTTPKMPKLRHSD11B1KDM4E
SCHEMBL15462508 0.92 HTT (0.45) HTTPKMPKLRHSD11B1KDM4E
SCHEMBL14815496 0.92 HTT (0.45) HTTPKMPKLRHSD11B1KDM4E
SCHEMBL15462449 0.88 HTT (0.42) HTTPKMPKLRHSD11B1KDM4E
SCHEMBL14816114 0.88 HTT (0.42) HTTPKMPKLRHSD11B1KDM4E
SCHEMBL15462502 0.86 KDM4E (0.44) HTTPKMPKLRHSD11B1KDM4E
SCHEMBL14816238 0.86 KDM4E (0.44) HTTPKMPKLRHSD11B1KDM4E
SCHEMBL14815757 0.85 SCN3A (0.46) HTTPKMPKLRHSD11B1KDM4E
SCHEMBL15462542 0.85 SCN3A (0.46) HTTPKMPKLRHSD11B1KDM4E
SCHEMBL14815423 0.84 KDM4E (0.44) HTTPKMPKLRHSD11B1KDM4E

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 1 patent. 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

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 HTT 3898/4885PKM 2827/4885PKLR 2228/4885

“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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