SCHEMBL14815436

SCHEMBL14815436

O=S(=O)(c1cccc(Cl)c1Cl)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CHRM1 P11229 2/20 0.39
▸ AKR1C3 P42330 1/20 0.35
▸ NAAA Q02083 1/20 0.34
▸ ALOX5AP P20292 3/20 0.34
▸ FEN1 P39748 3/20 0.34
▸ CCR1 P32246 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ MEN1 O00255 1/20 0.32

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
SCHEMBL15462392 1.00 KMT2A (0.40) KMT2ATSHRLMNACHRM1AKR1C3
SCHEMBL15462515 0.91 CHRM1 (0.41) KMT2ACHRM1AKR1C3NAAAALOX5AP
SCHEMBL14815880 0.91 CHRM1 (0.41) KMT2ACHRM1AKR1C3NAAAALOX5AP
SCHEMBL14815967 0.86 ALOX5AP (0.39) CHRM1NAAAALOX5APFEN1
SCHEMBL15462405 0.86 CNR1 (0.43) KMT2ATSHRAKR1C3ALOX5APFEN1
SCHEMBL14815747 0.86 TSHR (0.43) KMT2ATSHRMAPTALDH1A1
SCHEMBL14815542 0.86 CNR1 (0.43) KMT2ATSHRAKR1C3ALOX5APFEN1
SCHEMBL14815836 0.86 TRPV4 (0.40) TSHRLMNA
SCHEMBL15462481 0.86 TRPV4 (0.40) TSHRLMNA
SCHEMBL15462466 0.86 TSHR (0.43) KMT2ATSHRMAPTALDH1A1

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 KMT2A 1876/4885TSHR 1272/4885LMNA 1787/4885

“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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