SCHEMBL14815243

SCHEMBL14815243

FC(F)(F)c1ccc(N2CCN3C[C@H](Oc4ccc(Cl)cn4)C[C@H]3C2)nc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ SCN9A Q15858 1/20 0.45
▸ TACR3 P29371 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ LIPG Q9Y5X9 1/20 0.41
▸ LIPE Q05469 2/20 0.41
▸ HRH3 Q9Y5N1 3/20 0.41
▸ CYP3A4 P08684 2/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ DPP4 P27487 2/20 0.39
▸ DPP8 Q6V1X1 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL14815144 0.83 DRD2 (0.38) DRD2DRD4HRH3
SCHEMBL14814952 0.83 DRD2 (0.38) DRD2DRD4HRH3
SCHEMBL14814680 0.83 DRD4 (0.44) DRD2DRD4SCN9ATACR3L3MBTL1
SCHEMBL14815115 0.83 HRH3 (0.40) LIPGLIPEHRH3CYP3A4EPHX2
SCHEMBL14815145 0.80 TACR3 (0.47) DRD2DRD4SCN9ATACR3L3MBTL1
SCHEMBL14815146 0.80 TACR3 (0.47) DRD2DRD4SCN9ATACR3L3MBTL1
SCHEMBL15799494 0.79 HRH3 (0.39) SCN9AL3MBTL1LIPGLIPEHRH3
SCHEMBL15794006 0.79 HRH3 (0.39) SCN9AL3MBTL1LIPGLIPEHRH3
SCHEMBL15793634 0.79 HRH3 (0.39) SCN9AL3MBTL1LIPGLIPEHRH3
SCHEMBL15793422 0.79 HRH3 (0.39) SCN9AL3MBTL1LIPGLIPEHRH3

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 DRD2 307/4885DRD4 367/4885SCN9A 298/4885

“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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