SCHEMBL14814692

SCHEMBL14814692

N#Cc1cccc(CC(=O)N2CCN3C[C@H](Oc4cnc(C5CC5)cn4)C[C@H]3C2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ PANK3 Q9H999 1/20 0.38
▸ MGLL Q99685 3/20 0.38
▸ SYK P43405 1/20 0.37
▸ KCNJ1 P48048 6/20 0.36
▸ NAMPT P43490 2/20 0.36
▸ KDM2B Q8NHM5 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ MLNR O43193 1/20 0.35

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
SCHEMBL14815079 0.85 MEN1 (0.46) KCNH2SYK
SCHEMBL14815372 0.84 KCNJ1 (0.36) KCNH2PANK3KCNJ1
SCHEMBL14814708 0.82 SMN1; SMN2 (0.42) HRH3MLNR
SCHEMBL14815029 0.81 PANK3 (0.39) KCNH2PANK3MGLLKCNJ1
SCHEMBL14814957 0.80 LIPE (0.45) HRH3
SCHEMBL14814992 0.80 LIPE (0.37) PANK3KCNJ1
SCHEMBL14814725 0.80 LIPE (0.37) KCNJ1
SCHEMBL14815169 0.79 LIPE (0.38) KCNH2PANK3MGLL
SCHEMBL14814942 0.78 LIPE (0.43) HRH3MGLL
SCHEMBL14815876 0.78 JAK1 (0.40) —

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 4 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-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — 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 HRH3 1244/4885KCNH2 16/4885PANK3 4165/4885

“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.

Send feedback