SCHEMBL14815420

SCHEMBL14815420

O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN2C[C@H](Oc3cncc(C4CC4)n3)C[C@H]2C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TRPV4 Q9HBA0 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SCN3A Q9NY46 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
▸ TSHR P16473 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ NAAA Q02083 1/20 0.35
▸ KDM2B Q8NHM5 1/20 0.35
▸ LMNA P02545 1/20 0.34

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
SCHEMBL14816011 0.90 KDM4E (0.42) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL15462544 0.88 MEN1 (0.41) MEN1KMT2ATRPV4KDM4EL3MBTL1
SCHEMBL14815999 0.88 MEN1 (0.41) MEN1KMT2ATRPV4KDM4EL3MBTL1
SCHEMBL14815434 0.88 KDM4E (0.41) MEN1KMT2ATRPV4KDM4EL3MBTL1
SCHEMBL14816147 0.88 KDM4E (0.41) MEN1KMT2ATRPV4KDM4EL3MBTL1
SCHEMBL14815581 0.88 KDM4E (0.41) MEN1KMT2ATRPV4KDM4EL3MBTL1
SCHEMBL14815767 0.84 KDM4E (0.42) MEN1KMT2ATRPV4KDM4EL3MBTL1
SCHEMBL15462491 0.84 KDM4E (0.42) MEN1KMT2ATRPV4KDM4EL3MBTL1
SCHEMBL14816208 0.83 KDM4E (0.47) MEN1KMT2ATRPV4KDM4EL3MBTL1
SCHEMBL15462451 0.83 KDM4E (0.47) MEN1KMT2ATRPV4KDM4EL3MBTL1

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-8648074-B2 Substituted octahydropyrrolo[1,2-a]pyrazine sulfonamides as calcium channel blockers ABBVIE INC. (US) 2014-02-11 — — US claimed
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 1876/4885TRPV4 75/4885

“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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