SCHEMBL14815468

SCHEMBL14815468

O=C(CCC(F)(F)F)N1CC[C@@H]2CC[C@@H](Nc3ccc(C(F)(F)F)cn3)N2C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.46
▸ DPP4 P27487 2/20 0.42
▸ TRPV1 Q8NER1 2/20 0.39
▸ HCRTR1 O43613 6/20 0.38
▸ HCRTR2 O43614 3/20 0.38
▸ LIPE Q05469 1/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ HSD11B1 P28845 2/20 0.37

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
SCHEMBL14815549 0.94 EPHX2 (0.41) EPHX2DPP4TRPV1HCRTR1HCRTR2
SCHEMBL14815174 0.86 EPHX2 (0.44) EPHX2DPP4TRPV1HCRTR1HCRTR2
SCHEMBL14815306 0.86 EPHX2 (0.43) EPHX2DPP4TRPV1HCRTR1HCRTR2
SCHEMBL14815171 0.82 EPHX2 (0.52) EPHX2DPP4TRPV1HCRTR1HCRTR2
SCHEMBL14815301 0.82 EPHX2 (0.41) EPHX2HCRTR1HCRTR2
SCHEMBL14815455 0.80 MGLL (0.49) HCRTR1HCRTR2CYP2C9
SCHEMBL14815318 0.77 HCRTR2 (0.38) EPHX2HCRTR1HCRTR2CYP3A4CYP2D6
SCHEMBL14814682 0.75 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL14815158 0.74 DPP4 (0.45) EPHX2DPP4TRPV1CYP3A4CYP2D6
SCHEMBL14815100 0.72 HCRTR2 (0.41) EPHX2HCRTR1HCRTR2CYP3A4CYP2D6

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 EPHX2 2168/4885DPP4 578/4885TRPV1 66/4885

“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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