SCHEMBL14814775

SCHEMBL14814775

O=C(COc1cccc(C(F)(F)F)c1)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ENPP2 Q13822 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ IDE P14735 1/20 0.42
▸ TSHR P16473 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ LIPE Q05469 2/20 0.39
▸ SCN9A Q15858 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ TP53 P04637 1/20 0.37

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 0.88 MEN1 (0.46) LIPESCN9AKMT2AMEN1
SCHEMBL14814586 0.88 MAPT (0.46) MAPTKDM4EENPP2SMN1; SMN2MCHR1
SCHEMBL14815088 0.86 SCN9A (0.37) ALDH1A1KDM4ELIPESCN9A
SCHEMBL14815065 0.86 LIPE (0.38) LIPESCN9A
SCHEMBL14833210 0.85 ABL1 (0.42) ALDH1A1LMNAKDM4ESCN9AKMT2A
SCHEMBL14815262 0.85 ABL1 (0.42) ALDH1A1LMNAKDM4ESCN9AKMT2A
SCHEMBL14815204 0.85 ABL1 (0.42) ALDH1A1LMNAKDM4ESCN9AKMT2A
SCHEMBL14833209 0.85 ABL1 (0.42) ALDH1A1LMNAKDM4ESCN9AKMT2A
SCHEMBL14814637 0.85 HRH3 (0.45) MAPTALDH1A1GAAHTTKDM4E
SCHEMBL14814755 0.84 ALDH1A1 (0.47) MAPTALDH1A1GAAKDM4ESMN1; SMN2

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 3 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 disclosed
WO-2013049164-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — WO 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 MAPT 2755/4885ALDH1A1 1283/4885GAA 4641/4885

“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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