SCHEMBL14814680

SCHEMBL14814680

FC(F)(F)c1cccc(O[C@@H]2C[C@H]3CN(c4ccc(Cl)cn4)CCN3C2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 2/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ RET P07949 1/20 0.38
▸ SCN9A Q15858 1/20 0.34
▸ AXL P30530 1/20 0.34
▸ MERTK Q12866 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ SLC6A4 P31645 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ P2RX3 P56373 2/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ TACR3 P29371 1/20 0.32

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
SCHEMBL14814952 0.89 DRD2 (0.38) DRD4DRD2ACACB
SCHEMBL14815144 0.89 DRD2 (0.38) DRD4DRD2ACACB
SCHEMBL14814816 0.86 ACACB (0.41) ACACB
SCHEMBL14815243 0.83 DRD2 (0.46) DRD4DRD2SCN9AL3MBTL1CYP3A4
SCHEMBL14814812 0.79 DRD2 (0.42) DRD4DRD2SCN9AL3MBTL1CYP3A4
SCHEMBL14814694 0.77 ACACB (0.39) ACACB
SCHEMBL14814814 0.74 HCRTR2 (0.41) SCN9AHCRTR1HCRTR2ACACB
SCHEMBL14814634 0.74 GRIN2B (0.37) DRD4DRD2DPP4HTR1ADRD3
SCHEMBL14815130 0.74 DRD2 (0.42) DRD4DRD2SCN9AL3MBTL1CYP3A4
SCHEMBL14815111 0.72 SCN7A (0.37) SCN9AAXLMERTKSLC6A4HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013049164-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — WO claimed
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
WO-2013049164-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — WO 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 DRD4 367/4885DRD2 307/4885RET 3066/4885

“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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