SCHEMBL14816030

SCHEMBL14816030

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.53
▸ CNR1 P21554 1/20 0.52
▸ LMNA P02545 2/20 0.50
▸ PKM P14618 2/20 0.50
▸ PKLR P30613 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ GAA P10253 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HSD11B1 P28845 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ KDM2B Q8NHM5 1/20 0.45
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL14816151 1.00 HTT (0.53) HTTCNR1LMNAPKMPKLR
SCHEMBL14833786 1.00 HTT (0.53) HTTCNR1LMNAPKMPKLR
SCHEMBL14816195 0.89 HSD11B1 (0.43) HTTCNR1LMNAPKMPKLR
SCHEMBL14816012 0.86 TRPV4 (0.50) LMNAALDH1A1GAAHSD11B1KDM4E
SCHEMBL14816153 0.86 TRPV4 (0.50) LMNAALDH1A1GAAHSD11B1KDM4E
SCHEMBL14816198 0.84 CNR1 (0.42) CNR1GAAL3MBTL1
SCHEMBL14815870 0.81 TSHR (0.40) LMNAPKMALDH1A1SMN1; SMN2HSD11B1
SCHEMBL14815765 0.81 ALDH1A1 (0.42) LMNAPKMUSP2ALDH1A1KMT2A
SCHEMBL7951411 0.81 CNR1 (0.58) HTTCNR1LMNAPKMPKLR
SCHEMBL7960720 0.81 CNR1 (0.58) HTTCNR1LMNAPKMPKLR

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 2 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 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 HTT 3898/4885CNR1 279/4885LMNA 1787/4885

“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.

Send feedback