SCHEMBL14815757

SCHEMBL14815757

O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN2C[C@H](Oc3ccc(C(F)(F)F)cn3)C[C@H]2C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HTT P42858 1/20 0.44
▸ HSD11B1 P28845 1/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ LIPG Q9Y5X9 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ PKLR P30613 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KDM2B Q8NHM5 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SCN9A Q15858 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL15462542 1.00 SCN3A (0.46) SCN3AKDM4EHTTHSD11B1CNR1
SCHEMBL15462502 0.93 KDM4E (0.44) SCN3AKDM4EHTTHSD11B1CNR1
SCHEMBL14816238 0.93 KDM4E (0.44) SCN3AKDM4EHTTHSD11B1CNR1
SCHEMBL15462469 0.91 CNR1 (0.42) SCN3AKDM4EHTTHSD11B1CNR1
SCHEMBL14815843 0.91 CNR1 (0.42) SCN3AKDM4EHTTHSD11B1CNR1
SCHEMBL14816226 0.91 KDM4E (0.42) SCN3AKDM4EHTTHSD11B1CNR1
SCHEMBL15462410 0.90 L3MBTL1 (0.45) SCN3AKDM4EHTTHSD11B1CNR1
SCHEMBL14815869 0.90 L3MBTL1 (0.45) SCN3AKDM4EHTTHSD11B1CNR1
SCHEMBL14816162 0.90 SCN3A (0.43) SCN3ALIPGSCN9A
SCHEMBL14816208 0.89 KDM4E (0.47) SCN3AKDM4EHSD11B1LIPGALDH1A1

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-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 SCN3A 116/4885KDM4E 3640/4885HTT 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.

Send feedback