SCHEMBL14816018

SCHEMBL14816018

Cc1cccc(S(=O)(=O)N2CCN3C[C@H](Oc4cnc(C5CC5)cn4)C[C@H]3C2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.38
▸ KDM2B Q8NHM5 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NAAA Q02083 2/20 0.36
▸ MAPT P10636 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ PAX8 Q06710 3/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 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
SCHEMBL15462432 1.00 GRM5 (0.38) GRM5KDM2BJAK2JAK1POLB
SCHEMBL15462445 0.91 CNR1 (0.37) KDM2BPOLBTDP1SMN1; SMN2NAAA
SCHEMBL14816148 0.91 CNR1 (0.37) KDM2BPOLBTDP1SMN1; SMN2NAAA
SCHEMBL14815873 0.90 PKM (0.40) POLBTDP1SMN1; SMN2MAPTAKR1C3
SCHEMBL15462440 0.90 PKM (0.40) POLBTDP1SMN1; SMN2MAPTAKR1C3
SCHEMBL15462539 0.89 SMN1; SMN2 (0.42) JAK2JAK1POLBTDP1SMN1; SMN2
SCHEMBL14815958 0.89 MBTD1 (0.44) POLBSMN1; SMN2NAAAAKR1C3NR1H2
SCHEMBL15462417 0.89 MBTD1 (0.44) POLBSMN1; SMN2NAAAAKR1C3NR1H2
SCHEMBL14815855 0.89 ALDH1A1 (0.40) GRM5RECQLMAPTAKR1C3ALDH1A1
SCHEMBL15462497 0.89 ALDH1A1 (0.40) GRM5RECQLMAPTAKR1C3ALDH1A1

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 GRM5 590/4885KDM2B 1012/4885JAK2 1514/4885

“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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