SCHEMBL14815747

SCHEMBL14815747

O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ ALOX15 P16050 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ USP2 O75604 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ TP53 P04637 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
SCHEMBL15462466 1.00 TSHR (0.43) TSHRNPSR1HTTCNR1POLB
SCHEMBL14815836 0.93 TRPV4 (0.40) TSHRNPSR1HTTCNR1POLB
SCHEMBL15462481 0.93 TRPV4 (0.40) TSHRNPSR1HTTCNR1POLB
SCHEMBL15462453 0.92 ALOX5AP (0.36) TSHRNPSR1HTTCNR1POLB
SCHEMBL14815868 0.92 ALOX5AP (0.36) TSHRNPSR1HTTCNR1POLB
SCHEMBL14816109 0.90 ALDH1A1 (0.40) TSHRNPSR1HTTCNR1ALDH1A1
SCHEMBL15462456 0.90 ALDH1A1 (0.40) TSHRNPSR1HTTCNR1ALDH1A1
SCHEMBL15462411 0.89 MEN1 (0.45) TSHRNPSR1ALDH1A1L3MBTL1KMT2A
SCHEMBL14815992 0.89 MEN1 (0.45) TSHRNPSR1ALDH1A1L3MBTL1KMT2A
SCHEMBL14816193 0.87 ALDH1A1 (0.44) NPSR1HTTCNR1POLBALDH1A1

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 TSHR 1272/4885NPSR1 271/4885HTT 3898/4885

“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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