SCHEMBL14814707

SCHEMBL14814707

CC(C)(C)CC(=O)N1CCN2C[C@@H](Nc3ccc(C(F)(F)F)cn3)C[C@H]2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ SCN9A Q15858 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ HSD11B1 P28845 2/20 0.42
▸ CCR6 P51684 2/20 0.41
▸ TRPV1 Q8NER1 2/20 0.40
▸ NPY5R Q15761 1/20 0.40
▸ CCNK O75909 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CDK12 Q9NYV4 1/20 0.39
▸ CXCR3 P49682 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 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
SCHEMBL14815158 0.86 DPP4 (0.45) DPP4EPHX2SCN9ACYP3A4CYP2D6
SCHEMBL14814958 0.85 CCR6 (0.46) DPP4EPHX2SCN9ACYP3A4CYP2D6
SCHEMBL14815106 0.84 CYP3A4 (0.42) DPP4EPHX2SCN9ACYP3A4CYP2D6
SCHEMBL14833487 0.83 EPHX2 (0.51) DPP4EPHX2SCN9ACYP3A4CYP2D6
SCHEMBL14814665 0.83 EPHX2 (0.51) DPP4EPHX2SCN9ACYP3A4CYP2D6
SCHEMBL14815322 0.79 MGLL (0.46) SCN9ACYP3A4CYP2D6CYP2C9HSD11B1
SCHEMBL14815203 0.75 CCR6 (0.41) DPP4CYP3A4CYP2D6CYP2C9HSD11B1
SCHEMBL14815174 0.74 EPHX2 (0.44) DPP4EPHX2SCN9ACCR6TRPV1
SCHEMBL14815310 0.74 CYP3A4 (0.42) EPHX2CYP3A4CYP2D6CYP2C9HSD11B1
SCHEMBL14815122 0.72 MGLL (0.48) CCNKCDK12HPGDSMN1; SMN2POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669255-B2 Substituted octahydropyrrolo[1,2-a]pyrazines as calcium channel blockers ABBVIE INC. (US) 2014-03-11 — — US claimed
US-8669255-B2 Substituted octahydropyrrolo[1,2-a]pyrazines as calcium channel blockers ABBVIE INC. (US) 2014-03-11 — — US disclosed
US-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — US disclosed

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 DPP4 578/4885EPHX2 2168/4885SCN9A 298/4885

“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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