SCHEMBL14815352

SCHEMBL14815352

O=S(=O)(N[C@H]1CC[C@H]2CCNCN21)c1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ MMP1 P03956 1/20 0.45
▸ MMP2 P08253 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ MMP8 P22894 1/20 0.45
▸ MMP13 P45452 1/20 0.45
▸ HTR6 P50406 2/20 0.43
▸ DRD2 P14416 1/20 0.42
▸ ADRA1D P25100 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ ADRA1B P35368 1/20 0.42
▸ TSHR P16473 2/20 0.42
▸ HDAC8 Q9BY41 1/20 0.41
▸ MCOLN2 Q8IZK6 1/20 0.40
▸ MCOLN3 Q8TDD5 1/20 0.40
▸ MCOLN1 Q9GZU1 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ CCR3 P51677 1/20 0.40
▸ HTR1A P08908 1/20 0.39

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
SCHEMBL14815064 0.79 HRH1 (0.45) CA1CA2MMP1MMP2MMP9
SCHEMBL3486063 0.78 WNT3 (0.56) CA1CA2MMP1MMP2MMP9
SCHEMBL14815148 0.77 DRD2 (0.48) CA1CA2MMP1MMP2MMP9
SCHEMBL14815248 0.76 CACNA1B (0.49) HDAC8ELOVL6
SCHEMBL14815382 0.76 SIGMAR1 (0.46) HTR1AHTR7LMNA
SCHEMBL14815334 0.75 KCNH2 (0.43) DRD2ADRA1DADRA1AADRA1BHTR1A
SCHEMBL14815482 0.75 HSD11B1 (0.51) HDAC8
SCHEMBL14815229 0.74 UBE2M (0.48) HTR1AHTR7LMNANPSR1MEN1
SCHEMBL14815237 0.74 DRD2 (0.43) CA1CA2MMP1MMP2MMP9
SCHEMBL2420848 0.73 CA1 (0.62) CA1CA2MMP1MMP2MMP9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — US claimed

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-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, CACNA1E, CACNA1D CA1 438/4885CA2 107/4885MMP1 3656/4885

“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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