SCHEMBL14815880

SCHEMBL14815880

O=S(=O)(c1cccc(Cl)c1F)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 3/20 0.41
▸ AKR1C3 P42330 1/20 0.37
▸ ALOX5AP P20292 3/20 0.36
▸ FEN1 P39748 3/20 0.36
▸ CCR1 P32246 4/20 0.34
▸ ADRA1A P35348 2/20 0.34
▸ ADRA1B P35368 2/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ NAAA Q02083 1/20 0.33
▸ SCN3A Q9NY46 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL15462515 1.00 CHRM1 (0.41) CHRM1AKR1C3ALOX5APFEN1CCR1
SCHEMBL15462392 0.91 KMT2A (0.40) CHRM1AKR1C3ALOX5APFEN1CCR1
SCHEMBL14815436 0.91 KMT2A (0.40) CHRM1AKR1C3ALOX5APFEN1CCR1
SCHEMBL14815967 0.91 ALOX5AP (0.39) CHRM1ALOX5APFEN1NAAASCN3A
SCHEMBL14815787 0.88 ALOX5AP (0.41) ALOX5APFEN1ALDH1A1KMT2A
SCHEMBL14815679 0.87 CYP19A1 (0.37) AKR1C3ALOX5APFEN1SCN3AALDH1A1
SCHEMBL14815868 0.85 ALOX5AP (0.36) AKR1C3ALOX5APFEN1ADRA1AADRA1B
SCHEMBL15462453 0.85 ALOX5AP (0.36) AKR1C3ALOX5APFEN1ADRA1AADRA1B
SCHEMBL14815380 0.85 PKM (0.41) AKR1C3ALOX5APFEN1NAAAALDH1A1
SCHEMBL15462462 0.85 PKM (0.41) AKR1C3ALOX5APFEN1NAAAALDH1A1

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 CHRM1 247/4885AKR1C3 2207/4885ALOX5AP 649/4885

“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.

Send feedback