SCHEMBL14815249

SCHEMBL14815249

O=C(c1cccc(OC(F)F)c1)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ RECQL P46063 1/20 0.46
▸ MGLL Q99685 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HRH3 Q9Y5N1 9/20 0.38
▸ KCNH2 Q12809 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ATM Q13315 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ PROKR1 Q8TCW9 1/20 0.36

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
SCHEMBL14815105 0.91 HSD11B1 (0.44) KDM4EMGLLALDH1A1LMNATSHR
SCHEMBL14814966 0.87 MGLL (0.43) KDM4ERECQLMGLLALDH1A1LMNA
SCHEMBL14815075 0.86 PDE2A (0.42) KDM4EMGLLALDH1A1LMNATSHR
SCHEMBL15793590 0.86 HSD11B1 (0.43) MGLLHRH3KCNH2KMT2AMEN1
SCHEMBL15793777 0.86 HSD11B1 (0.43) MGLLHRH3KCNH2KMT2AMEN1
SCHEMBL15793756 0.86 HSD11B1 (0.43) MGLLHRH3KCNH2KMT2AMEN1
SCHEMBL15793779 0.86 HSD11B1 (0.43) MGLLHRH3KCNH2KMT2AMEN1
SCHEMBL14833210 0.86 ABL1 (0.42) KDM4EMGLLALDH1A1LMNAKCNH2
SCHEMBL14815262 0.86 ABL1 (0.42) KDM4EMGLLALDH1A1LMNAKCNH2
SCHEMBL14833209 0.86 ABL1 (0.42) KDM4EMGLLALDH1A1LMNAKCNH2

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 KDM4E 3058/4885RECQL 4021/4885MGLL 4703/4885

“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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