SCHEMBL14814622

SCHEMBL14814622

CC(C)(O)c1cccc(C(=O)N2CCN3C[C@H](Oc4cnc(C5CC5)cn4)C[C@H]3C2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HRH3 Q9Y5N1 4/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ BCR P11274 1/20 0.35
▸ KCNH2 Q12809 4/20 0.34
▸ SCN9A Q15858 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CCR2 P41597 3/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33

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
SCHEMBL14815262 0.91 ABL1 (0.42) MGLLKDM4EALDH1A1LMNAABL1
SCHEMBL14833209 0.91 ABL1 (0.42) MGLLKDM4EALDH1A1LMNAABL1
SCHEMBL14815204 0.91 ABL1 (0.42) MGLLKDM4EALDH1A1LMNAABL1
SCHEMBL14833210 0.91 ABL1 (0.42) MGLLKDM4EALDH1A1LMNAABL1
SCHEMBL14814966 0.87 MGLL (0.43) MGLLKDM4EALDH1A1LMNATSHR
SCHEMBL14815075 0.86 PDE2A (0.42) MGLLKDM4EALDH1A1LMNATSHR
SCHEMBL15793953 0.86 LMNA (0.45) LMNAABL1BCRKCNH2SCN9A
SCHEMBL15793881 0.86 LMNA (0.45) LMNAABL1BCRKCNH2SCN9A
SCHEMBL15793984 0.86 LMNA (0.45) LMNAABL1BCRKCNH2SCN9A
SCHEMBL15794025 0.86 LMNA (0.45) LMNAABL1BCRKCNH2SCN9A

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 MGLL 4703/4885KDM4E 3058/4885ALDH1A1 1283/4885

“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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