SCHEMBL14815518

SCHEMBL14815518

FC(F)(F)c1cccc(N[C@@H]2CC[C@H]3CCN(c4cccc(C(F)(F)F)n4)CN32)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 3/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ HCRTR2 O43614 2/20 0.38
▸ IDH2 P48735 3/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ ACACB O00763 7/20 0.38
▸ GRIN2B Q13224 1/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ DPP9 Q86TI2 1/20 0.37
▸ DPP7 Q9UHL4 1/20 0.37

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
SCHEMBL14815472 0.86 HRH3 (0.38) PHGDHHRH3DRD2DRD3ACACB
SCHEMBL14815124 0.86 IDO1 (0.35) HCRTR2IDH2DRD2HCRTR1
SCHEMBL14814765 0.85 HCRTR1 (0.41) PHGDHHRH3HCRTR2IDH2DRD2
SCHEMBL14815323 0.81 HCRTR2 (0.43) HRH3HCRTR2IDH2DRD2HCRTR1
SCHEMBL14815100 0.77 HCRTR2 (0.41) HCRTR2DRD2HCRTR1ACACB
SCHEMBL14815443 0.76 HCRTR2 (0.40) HCRTR2IDH2HCRTR1
SCHEMBL14815301 0.76 EPHX2 (0.41) HCRTR2HCRTR1
SCHEMBL14815213 0.75 HCRTR2 (0.41) HRH3HCRTR2IDH2DRD2DRD3
SCHEMBL14815318 0.74 HCRTR2 (0.38) HCRTR2HCRTR1
SCHEMBL30582911 0.71 HRH3 (0.52) PHGDHHRH3DRD2DRD3ACACB

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 PHGDH 3730/4885HRH3 1244/4885HCRTR2 434/4885

“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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