SCHEMBL14815306

SCHEMBL14815306

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.43
▸ CCR6 P51684 3/20 0.42
▸ TRPV1 Q8NER1 2/20 0.42
▸ HCRTR1 O43613 8/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HCRTR2 O43614 4/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ HSD11B1 P28845 2/20 0.40
▸ DPP4 P27487 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL14815468 0.86 EPHX2 (0.46) EPHX2TRPV1HCRTR1HCRTR2CYP3A4
SCHEMBL14815174 0.86 EPHX2 (0.44) EPHX2CCR6TRPV1HCRTR1HCRTR2
SCHEMBL14815455 0.85 MGLL (0.49) HCRTR1HCRTR2CYP2C9
SCHEMBL14815171 0.85 EPHX2 (0.52) EPHX2CCR6TRPV1HCRTR1HCRTR2
SCHEMBL14815549 0.84 EPHX2 (0.41) EPHX2CCR6TRPV1HCRTR1HCRTR2
SCHEMBL14815323 0.80 HCRTR2 (0.43) HCRTR1HCRTR2CYP3A4CYP2D6CYP2C9
SCHEMBL14834356 0.79 CCR6 (0.59) EPHX2CCR6TRPV1HCRTR1NPC1
SCHEMBL14814682 0.77 HCRTR1 (0.40) CCR6HCRTR1HCRTR2
SCHEMBL14815290 0.77 HCRTR1 (0.42) HCRTR1HCRTR2HSD11B1
SCHEMBL14815442 0.76 MGLL (0.52) HSD11B1LMNASMN1; SMN2

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 2168/4885CCR6 3966/4885TRPV1 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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