SCHEMBL14815064

SCHEMBL14815064

O=C(O)N1CC[C@@H]2CC[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)N2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 1/20 0.45
▸ CCR3 P51677 1/20 0.45
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ CACNA1B Q00975 7/20 0.43
▸ NR1I2 O75469 3/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ ADRA1D P25100 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ ADRA1B P35368 1/20 0.42
▸ ELOVL6 Q9H5J4 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL14815248 0.89 CACNA1B (0.49) CACNA1BNR1I2CNR1HDAC8ELOVL6
SCHEMBL14815482 0.87 HSD11B1 (0.51) CACNA1BNR1I2HDAC8PKLRALDH1A1
SCHEMBL14815148 0.82 DRD2 (0.48) HRH1CCR3CA1CA2MMP1
SCHEMBL14815382 0.80 SIGMAR1 (0.46) CACNA1BGAAALDH1A1
SCHEMBL14815352 0.79 CA1 (0.45) HRH1CCR3CA1CA2MMP1
SCHEMBL14815237 0.78 DRD2 (0.43) CA1CA2MMP1MMP2MMP9
SCHEMBL14815334 0.78 KCNH2 (0.43) CACNA1BDRD2ADRA1DADRA1AADRA1B
SCHEMBL14815277 0.77 UBE2M (0.48) CACNA1BDRD2ADRA1DADRA1AADRA1B
SCHEMBL14815229 0.77 UBE2M (0.48) CACNA1BMEN1KMT2ANPSR1ALDH1A1
SCHEMBL14815323 0.74 HCRTR2 (0.43) DRD2

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 HRH1 779/4885CCR3 2474/4885CA1 438/4885

“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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