SCHEMBL14815916

SCHEMBL14815916

CC(C)(C)c1ccc(S(=O)(=O)N2CCN3C[C@H](Oc4cnc(C5CC5)cn4)C[C@H]3C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 9/20 0.44
▸ TP53 P04637 1/20 0.41
▸ MCHR1 Q99705 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ LMNA P02545 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KDM2B Q8NHM5 1/20 0.37
▸ CCR6 P51684 1/20 0.37

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
SCHEMBL14815899 1.00 HSD11B1 (0.44) HSD11B1TP53MCHR1MEN1KMT2A
SCHEMBL14815583 0.93 SCN3A (0.38) HSD11B1TP53MCHR1MEN1KMT2A
SCHEMBL15462460 0.93 SCN3A (0.38) HSD11B1TP53MCHR1MEN1KMT2A
SCHEMBL14815581 0.91 KDM4E (0.41) HSD11B1MEN1KMT2ALMNAGAA
SCHEMBL14816147 0.91 KDM4E (0.41) HSD11B1MEN1KMT2ALMNAGAA
SCHEMBL14815434 0.91 KDM4E (0.41) HSD11B1MEN1KMT2ALMNAGAA
SCHEMBL14815545 0.90 SMN1; SMN2 (0.44) MEN1KMT2ALMNAGAAPOLB
SCHEMBL15462439 0.90 SMN1; SMN2 (0.44) MEN1KMT2ALMNAGAAPOLB
SCHEMBL15462425 0.90 MCHR1 (0.35) HSD11B1MCHR1GAA
SCHEMBL14815848 0.90 MCHR1 (0.35) HSD11B1MCHR1GAA

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 2 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 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 HSD11B1 3627/4885TP53 2892/4885MCHR1 3064/4885

“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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