SCHEMBL14815171

SCHEMBL14815171

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.52
▸ HCRTR1 O43613 8/20 0.41
▸ HCRTR2 O43614 7/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.38
▸ CCR6 P51684 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL14815306 0.85 EPHX2 (0.43) EPHX2HCRTR1HCRTR2SMN1; SMN2TRPV1
SCHEMBL14815174 0.84 EPHX2 (0.44) EPHX2HCRTR1HCRTR2TRPV1CCR6
SCHEMBL14815213 0.82 HCRTR2 (0.41) EPHX2HCRTR1HCRTR2LMNA
SCHEMBL14815468 0.82 EPHX2 (0.46) EPHX2HCRTR1HCRTR2TRPV1DPP4
SCHEMBL14815549 0.80 EPHX2 (0.41) EPHX2HCRTR1HCRTR2TRPV1CCR6
SCHEMBL14815455 0.79 MGLL (0.49) HCRTR1HCRTR2GAA
SCHEMBL14814665 0.75 EPHX2 (0.51) EPHX2HCRTR1HCRTR2SMN1; SMN2HPGD
SCHEMBL14833487 0.75 EPHX2 (0.51) EPHX2HCRTR1HCRTR2SMN1; SMN2HPGD
SCHEMBL14814682 0.72 HCRTR1 (0.40) HCRTR1HCRTR2CCR6
SCHEMBL14815442 0.71 MGLL (0.52) SMN1; SMN2HPGDPOLBLMNA

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 2168/4885HCRTR1 654/4885HCRTR2 434/4885

“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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