SCHEMBL14815461

SCHEMBL14815461

O=C(Cc1ccc(C(F)(F)F)cc1)N1CC[C@@H]2CC[C@H](Oc3cnc(C4CC4)cn3)N2C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 9/20 0.41
▸ CNR1 P21554 3/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.39
▸ ME2 P23368 1/20 0.37
▸ ME1 P48163 1/20 0.37
▸ ME3 Q16798 1/20 0.37
▸ STAT3 P40763 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PRKAA2 P54646 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ MLNR O43193 1/20 0.34

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
SCHEMBL14815233 0.90 PKM (0.39) LIPECNR1ME2ME1ME3
SCHEMBL14815376 0.88 LIPE (0.38) LIPECNR1PIK3CAPRKAA2
SCHEMBL14815136 0.88 LIPE (0.42) LIPEPIK3CAPRKAA2
SCHEMBL14814935 0.88 NTRK1 (0.34) LIPECNR1
SCHEMBL14815458 0.87 GAA (0.41) CNR1PIK3CAPRKAA2
SCHEMBL14815272 0.84 CCR3 (0.40) —
SCHEMBL14815210 0.84 LIPE (0.41) LIPEPIK3CAPRKAA2
SCHEMBL14814936 0.83 LIPE (0.39) LIPE
SCHEMBL14815447 0.83 DPP4 (0.36) LIPE
SCHEMBL14814700 0.83 KDM4E (0.44) HRH3

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 4720/4885CNR1 324/4885HRH3 1244/4885

“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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