SCHEMBL14815291

SCHEMBL14815291

CNC(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 15)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 8/20 0.35
▸ TEAD1 P28347 2/20 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
▸ DPP4 P27487 2/20 0.33
▸ DPP7 Q9UHL4 2/20 0.33
▸ MTTP P55157 4/20 0.33
▸ DPP8 Q6V1X1 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ TRPC6 Q9Y210 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
SCHEMBL14815220 1.00 LIPE (0.35) LIPETEAD1PSEN1PSEN2APH1B
SCHEMBL14815398 0.92 TEAD1 (0.35) LIPETEAD1PSEN1PSEN2APH1B
SCHEMBL14815140 0.92 TEAD1 (0.36) LIPETEAD1PSEN1PSEN2APH1B
SCHEMBL14814738 0.92 LIPE (0.35) LIPETEAD1PSEN1PSEN2APH1B
SCHEMBL14815239 0.91 KLRK1 (0.37) LIPE
SCHEMBL14815255 0.91 KLRK1 (0.37) LIPE
SCHEMBL14815346 0.89 CHRM1 (0.33) —
SCHEMBL14815210 0.89 LIPE (0.41) LIPETEAD1PSEN1PSEN2APH1B
SCHEMBL14815447 0.88 DPP4 (0.36) LIPEPSEN1PSEN2APH1BNCSTN
SCHEMBL14815445 0.86 LIPE (0.34) LIPETEAD1PSEN1PSEN2APH1B

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 4720/4885TEAD1 3296/4885PSEN1 880/4885

“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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