SCHEMBL14814850

SCHEMBL14814850

CC(C)c1cccc(C(=O)N2CC[C@@H]3CC[C@H](Oc4cnc(C5CC5)cn4)N3C2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 3/20 0.39
▸ MGLL Q99685 3/20 0.37
▸ L3MBTL3 Q96JM7 5/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ MAP3K12 Q12852 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ PRKG1 Q13976 1/20 0.33
▸ L3MBTL4 Q8NA19 1/20 0.32
▸ UBE2M P61081 1/20 0.32
▸ DCUN1D1 Q96GG9 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ CCR3 P51677 1/20 0.32

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
SCHEMBL14815342 0.89 KDM4E (0.38) MGLLL3MBTL3L3MBTL1LMNAKDM4E
SCHEMBL14815371 0.85 RBP4 (0.44) MGLLLMNAHPGD
SCHEMBL14815225 0.85 RBP4 (0.44) MGLLLMNAHPGD
SCHEMBL14815458 0.80 GAA (0.41) PDE2AMGLLTSHRHPGD
SCHEMBL14815222 0.80 P2RX7 (0.39) PDE2AMGLL
SCHEMBL14815346 0.79 CHRM1 (0.33) —
SCHEMBL14815149 0.79 GPR119 (0.32) —
SCHEMBL14814741 0.78 LIPE (0.39) —
SCHEMBL14815075 0.78 PDE2A (0.42) PDE2AMGLLLMNAKDM4EALDH1A1
SCHEMBL14815444 0.78 LIPE (0.42) —

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 PDE2A 597/4885MGLL 4703/4885L3MBTL3 2198/4885

“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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