SCHEMBL14816183

SCHEMBL14816183

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ POLB P06746 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CHRM1 P11229 2/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ PKM P14618 2/20 0.37
▸ PKLR P30613 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ AKR1C3 P42330 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ SLC6A9 P48067 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
SCHEMBL15462539 1.00 SMN1; SMN2 (0.42) SMN1; SMN2POLBTP53CHRM1KMT2A
SCHEMBL14815886 0.91 PKM (0.37) SMN1; SMN2POLBKMT2APKMAKR1C3
SCHEMBL14816018 0.89 GRM5 (0.38) SMN1; SMN2POLBKMT2AMEN1TDP1
SCHEMBL15462417 0.89 MBTD1 (0.44) SMN1; SMN2POLBCHRM1KMT2AMEN1
SCHEMBL14815958 0.89 MBTD1 (0.44) SMN1; SMN2POLBCHRM1KMT2AMEN1
SCHEMBL14815855 0.89 ALDH1A1 (0.40) TP53CHRM1KMT2AMEN1HTR2C
SCHEMBL15462497 0.89 ALDH1A1 (0.40) TP53CHRM1KMT2AMEN1HTR2C
SCHEMBL15462432 0.89 GRM5 (0.38) SMN1; SMN2POLBKMT2AMEN1TDP1
SCHEMBL15462473 0.89 MAPT (0.39) TP53KMT2APKM
SCHEMBL14815402 0.89 MAPT (0.39) TP53KMT2APKM

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 1986/4885POLB 4088/4885TP53 2892/4885

“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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