SCHEMBL14815447

SCHEMBL14815447

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.36
▸ DPP7 Q9UHL4 2/20 0.36
▸ DPP8 Q6V1X1 1/20 0.35
▸ LIPE Q05469 12/20 0.35
▸ TRPC6 Q9Y210 1/20 0.33
▸ HSD11B1 P28845 3/20 0.32
▸ 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

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
SCHEMBL14815210 0.91 LIPE (0.41) DPP4DPP7DPP8LIPETRPC6
SCHEMBL14815265 0.90 CCR2 (0.34) LIPE
SCHEMBL14815445 0.88 LIPE (0.34) DPP4DPP7LIPEPSEN1PSEN2
SCHEMBL14815220 0.88 LIPE (0.35) DPP4DPP7DPP8LIPETRPC6
SCHEMBL14815291 0.88 LIPE (0.35) DPP4DPP7DPP8LIPETRPC6
SCHEMBL14815140 0.88 TEAD1 (0.36) DPP4DPP7LIPEPSEN1PSEN2
SCHEMBL14815285 0.87 LIPE (0.33) DPP4DPP7DPP8LIPEPSEN1
SCHEMBL14815398 0.86 TEAD1 (0.35) DPP4DPP7DPP8LIPEPSEN1
SCHEMBL14814929 0.86 LIPE (0.34) DPP4DPP7DPP8LIPETRPC6
SCHEMBL14815313 0.86 LIPE (0.34) DPP4DPP7DPP8LIPETRPC6

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 DPP4 578/4885DPP7 770/4885DPP8 1688/4885

“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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