SCHEMBL14814738

SCHEMBL14814738

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 7/20 0.35
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ EPHX2 P34913 4/20 0.33
▸ TEAD1 P28347 2/20 0.33
▸ DPP4 P27487 1/20 0.32
▸ DPP7 Q9UHL4 1/20 0.32
▸ KLRK1 P26718 1/20 0.32
▸ MICA Q29983 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ TYRO3 Q06418 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PRKAA2 P54646 1/20 0.32
▸ MTTP P55157 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
SCHEMBL14815291 0.92 LIPE (0.35) LIPEPSEN1PSEN2APH1BNCSTN
SCHEMBL14815220 0.92 LIPE (0.35) LIPEPSEN1PSEN2APH1BNCSTN
SCHEMBL14815398 0.90 TEAD1 (0.35) LIPEPSEN1PSEN2APH1BNCSTN
SCHEMBL14815140 0.90 TEAD1 (0.36) LIPEPSEN1PSEN2APH1BNCSTN
SCHEMBL14815210 0.86 LIPE (0.41) LIPEPSEN1PSEN2APH1BNCSTN
SCHEMBL14815447 0.86 DPP4 (0.36) LIPEPSEN1PSEN2APH1BNCSTN
SCHEMBL14814944 0.84 KLRK1 (0.38) LIPEKLRK1MICA
SCHEMBL14815445 0.84 LIPE (0.34) LIPEPSEN1PSEN2APH1BNCSTN
SCHEMBL14814929 0.83 LIPE (0.34) LIPEPSEN1PSEN2APH1BNCSTN
SCHEMBL14815313 0.83 LIPE (0.34) LIPEPSEN1PSEN2APH1BNCSTN

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 4720/4885PSEN1 880/4885PSEN2 1018/4885

“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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