SCHEMBL14815085

SCHEMBL14815085

O=C(c1cccc(C(F)(F)F)c1)N1CCN2CC[C@@H](Oc3ccc(Cl)cn3)[C@@H]2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.48
▸ HPGD P15428 2/20 0.43
▸ RBP4 P02753 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ PROKR1 Q8TCW9 1/20 0.42
▸ ABL1 P00519 1/20 0.41
▸ BCR P11274 1/20 0.41
▸ FAAH O00519 1/20 0.41
▸ HCRTR1 O43613 1/20 0.41
▸ HCRTR2 O43614 1/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ LIPE Q05469 1/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ SCN9A Q15858 1/20 0.41

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
SCHEMBL14815083 1.00 MGLL (0.48) MGLLHPGDRBP4LMNAPOLB
SCHEMBL14815181 1.00 MGLL (0.48) MGLLHPGDRBP4LMNAPOLB
SCHEMBL14814801 0.83 MGLL (0.46) MGLLHPGDLMNAPOLBKDM4E
SCHEMBL14833284 0.83 MGLL (0.46) MGLLHPGDLMNAPOLBKDM4E
SCHEMBL14833283 0.83 MGLL (0.46) MGLLHPGDLMNAPOLBKDM4E
SCHEMBL14815253 0.83 MGLL (0.46) MGLLHPGDLMNAPOLBKDM4E
SCHEMBL14816189 0.81 KDM4E (0.44) HPGDLMNAKDM4EALDH1A1HSD11B1
SCHEMBL14816121 0.81 KDM4E (0.44) HPGDLMNAKDM4EALDH1A1HSD11B1
SCHEMBL14816120 0.81 KDM4E (0.44) HPGDLMNAKDM4EALDH1A1HSD11B1
SCHEMBL14833265 0.79 HCRTR1 (0.41) HCRTR1HCRTR2

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 5 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
WO-2013049164-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — WO 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 4703/4885HPGD 2799/4885RBP4 3407/4885

“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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