SCHEMBL14815969

SCHEMBL14815969

O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN2C[C@H](Oc3ccnc(C4CC4)n3)C[C@H]2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ TRPV4 Q9HBA0 1/20 0.39
▸ SCN3A Q9NY46 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36
▸ CCR6 P51684 2/20 0.36
▸ USP2 O75604 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAPK10 P53779 1/20 0.35

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
SCHEMBL15462512 1.00 MEN1 (0.40) MEN1KMT2AKDM4ETSHRL3MBTL1
SCHEMBL14816167 0.90 KDM4E (0.42) MEN1KMT2AKDM4EHSD11B1GAA
SCHEMBL15462477 0.84 MEN1 (0.42) MEN1KMT2AKDM4ETSHRL3MBTL1
SCHEMBL14815997 0.84 MEN1 (0.42) MEN1KMT2AKDM4ETSHRL3MBTL1
SCHEMBL14815434 0.84 KDM4E (0.41) MEN1KMT2AKDM4EL3MBTL1TRPV4
SCHEMBL14815581 0.84 KDM4E (0.41) MEN1KMT2AKDM4EL3MBTL1TRPV4
SCHEMBL14816147 0.84 KDM4E (0.41) MEN1KMT2AKDM4EL3MBTL1TRPV4
SCHEMBL15462451 0.83 KDM4E (0.47) MEN1KMT2AKDM4EL3MBTL1TRPV4
SCHEMBL14816208 0.83 KDM4E (0.47) MEN1KMT2AKDM4EL3MBTL1TRPV4
SCHEMBL14815420 0.82 MEN1 (0.40) MEN1KMT2AKDM4ETSHRL3MBTL1

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 MEN1 1999/4885KMT2A 1876/4885KDM4E 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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