SCHEMBL14815376

SCHEMBL14815376

O=C(Cc1cc(F)cc(C(F)(F)F)c1)N1CC[C@@H]2CC[C@H](Oc3cnc(C4CC4)cn3)N2C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 6/20 0.38
▸ CNR1 P21554 1/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ EIF2AK3 Q9NZJ5 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SCN9A Q15858 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ RIPK1 Q13546 1/20 0.31
▸ CCR3 P51677 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ SYK P43405 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PRKAA2 P54646 1/20 0.30
▸ PRCP P42785 1/20 0.30

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
SCHEMBL14815461 0.88 LIPE (0.41) LIPECNR1PIK3CAPRKAA2
SCHEMBL14815202 0.86 JAK2 (0.36) LIPECNR1
SCHEMBL14815233 0.86 PKM (0.39) LIPECNR1MEN1KMT2ACCR3
SCHEMBL14815136 0.85 LIPE (0.42) LIPEPKMPIK3CAPRKAA2PRCP
SCHEMBL14814935 0.85 NTRK1 (0.34) LIPECNR1SYKPRCP
SCHEMBL14815272 0.81 CCR3 (0.40) KMT2ACCR3
SCHEMBL14814936 0.81 LIPE (0.39) LIPESYKPRCP
SCHEMBL14814700 0.80 KDM4E (0.44) PKMSYK
SCHEMBL14815230 0.79 LIPE (0.41) LIPECNR1TACR1SCN9A
SCHEMBL14815458 0.79 GAA (0.41) CNR1MEN1KMT2APIK3CAPRKAA2

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 324/4885TACR1 198/4885

“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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