SCHEMBL14814816

SCHEMBL14814816

FC(F)(F)c1cccc(O[C@@H]2C[C@H]3CN(c4cccc(C(F)(F)F)n4)CCN3C2)n1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 18/20 0.41
▸ PHGDH O43175 1/20 0.41
▸ GRIN2B Q13224 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
SCHEMBL14814680 0.86 DRD4 (0.44) ACACB
SCHEMBL14814952 0.86 DRD2 (0.38) ACACB
SCHEMBL14815144 0.86 DRD2 (0.38) ACACB
SCHEMBL14814694 0.85 ACACB (0.39) ACACB
SCHEMBL14814814 0.81 HCRTR2 (0.41) ACACB
SCHEMBL15793892 0.80 ACACB (0.38) ACACB
SCHEMBL15794283 0.80 ACACB (0.38) ACACB
SCHEMBL15799209 0.80 ACACB (0.38) ACACB
SCHEMBL15794132 0.80 ACACB (0.38) ACACB
SCHEMBL15793381 0.80 ACACB (0.38) ACACB

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-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — US claimed
US-8669255-B2 Substituted octahydropyrrolo[1,2-a]pyrazines as calcium channel blockers ABBVIE INC. (US) 2014-03-11 — — US disclosed
US-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES 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-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, CACNA1E, CACNA1D ACACB 4267/4885PHGDH 3730/4885GRIN2B 159/4885

“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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