SCHEMBL14815545

SCHEMBL14815545

Cc1ccc(S(=O)(=O)N2CCN3C[C@H](Oc4cnc(C5CC5)cn4)C[C@H]3C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 7/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 3/20 0.39
▸ KMT2A Q03164 5/20 0.38
▸ POLB P06746 3/20 0.38
▸ PKM P14618 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ EBP Q15125 1/20 0.37
▸ DHCR7 Q9UBM7 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL15462439 1.00 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1KDM4ELMNAKMT2A
SCHEMBL14816136 0.91 KDM4E (0.47) SMN1; SMN2ALDH1A1KDM4EPOLBPKM
SCHEMBL15462505 0.91 KDM4E (0.47) SMN1; SMN2ALDH1A1KDM4EPOLBPKM
SCHEMBL15462489 0.91 MEN1 (0.43) LMNAKMT2AMEN1
SCHEMBL14815396 0.91 MEN1 (0.43) LMNAKMT2AMEN1
SCHEMBL15462445 0.90 CNR1 (0.37) SMN1; SMN2LMNAKMT2APOLBMEN1
SCHEMBL14816148 0.90 CNR1 (0.37) SMN1; SMN2LMNAKMT2APOLBMEN1
SCHEMBL14815402 0.90 MAPT (0.39) ALDH1A1KDM4ELMNAKMT2APKM
SCHEMBL15462523 0.90 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1KDM4ELMNAKMT2A
SCHEMBL14816193 0.90 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1KDM4ELMNAKMT2A

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 SMN1; SMN2 1986/4885ALDH1A1 1439/4885KDM4E 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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