SCHEMBL14815210

SCHEMBL14815210

O=C(C(O)c1ccc(C(F)(F)F)cc1)N1CC[C@@H]2CC[C@H](Oc3cnc(C4CC4)cn3)N2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 8/20 0.41
▸ DPP4 P27487 2/20 0.35
▸ DPP7 Q9UHL4 2/20 0.35
▸ DPP8 Q6V1X1 1/20 0.34
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32
▸ TRPC6 Q9Y210 1/20 0.32
▸ SCN9A Q15858 5/20 0.31
▸ TEAD1 P28347 2/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PRKAA2 P54646 1/20 0.31
▸ SCN7A Q01118 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ SCN5A Q14524 1/20 0.31
▸ SCN8A Q9UQD0 1/20 0.31
▸ SCN10A Q9Y5Y9 1/20 0.31

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
SCHEMBL14815447 0.91 DPP4 (0.36) LIPEDPP4DPP7DPP8PSEN1
SCHEMBL14814741 0.90 LIPE (0.39) LIPESCN9AKCNH2
SCHEMBL14815445 0.89 LIPE (0.34) LIPEDPP4DPP7PSEN1PSEN2
SCHEMBL14815291 0.89 LIPE (0.35) LIPEDPP4DPP7DPP8PSEN1
SCHEMBL14815140 0.89 TEAD1 (0.36) LIPEDPP4DPP7PSEN1PSEN2
SCHEMBL14815220 0.89 LIPE (0.35) LIPEDPP4DPP7DPP8PSEN1
SCHEMBL14815398 0.87 TEAD1 (0.35) LIPEDPP4DPP7DPP8PSEN1
SCHEMBL14815313 0.86 LIPE (0.34) LIPEDPP4DPP7DPP8PSEN1
SCHEMBL14814929 0.86 LIPE (0.34) LIPEDPP4DPP7DPP8PSEN1
SCHEMBL14815285 0.86 LIPE (0.33) LIPEDPP4DPP7DPP8PSEN1

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 LIPE 4720/4885DPP4 578/4885DPP7 770/4885

“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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