SCHEMBL14815958

SCHEMBL14815958

O=S(=O)(c1cccc(Br)c1)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MBTD1 Q05BQ5 1/20 0.44
▸ L3MBTL3 Q96JM7 1/20 0.44
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ AKR1C3 P42330 1/20 0.35
▸ HTR6 P50406 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ GPR183 P32249 1/20 0.33
▸ NAAA Q02083 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CTSL P07711 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GBA1 P04062 1/20 0.31
▸ CHRM1 P11229 1/20 0.31

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
SCHEMBL15462417 1.00 MBTD1 (0.44) MBTD1L3MBTL3MEN1KMT2AAKR1C3
SCHEMBL14816183 0.89 SMN1; SMN2 (0.42) MEN1KMT2AAKR1C3HTR6POLB
SCHEMBL15462539 0.89 SMN1; SMN2 (0.42) MEN1KMT2AAKR1C3HTR6POLB
SCHEMBL15462497 0.89 ALDH1A1 (0.40) MEN1KMT2AAKR1C3HTR6ALDH1A1
SCHEMBL14815855 0.89 ALDH1A1 (0.40) MEN1KMT2AAKR1C3HTR6ALDH1A1
SCHEMBL14816018 0.89 GRM5 (0.38) MEN1KMT2AAKR1C3HTR6NR1H2
SCHEMBL15462432 0.89 GRM5 (0.38) MEN1KMT2AAKR1C3HTR6NR1H2
SCHEMBL14815867 0.89 LMNA (0.37) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL15462421 0.89 LMNA (0.37) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL14815946 0.89 CNR1 (0.41) AKR1C3OPRM1OPRD1ALDH1A1

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 MBTD1 1731/4885L3MBTL3 3225/4885MEN1 1999/4885

“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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