SCHEMBL14815109

SCHEMBL14815109

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KLRK1 P26718 4/20 0.39
▸ MICA Q29983 4/20 0.39
▸ LIPE Q05469 4/20 0.37
▸ RAET1L Q5VY80 3/20 0.36
▸ CCR2 P41597 5/20 0.35
▸ KCNH2 Q12809 5/20 0.35
▸ LIPG Q9Y5X9 1/20 0.35
▸ SCN9A Q15858 2/20 0.35
▸ SOS1 Q07889 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM3 P20309 1/20 0.34

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
SCHEMBL14814674 1.00 KLRK1 (0.39) KLRK1MICALIPERAET1LCCR2
SCHEMBL14815067 1.00 KLRK1 (0.39) KLRK1MICALIPERAET1LCCR2
SCHEMBL14815160 0.93 KLRK1 (0.41) KLRK1MICALIPERAET1LCCR2
SCHEMBL14815170 0.92 KLRK1 (0.42) KLRK1MICALIPERAET1LCCR2
SCHEMBL14815326 0.91 KLRK1 (0.41) KLRK1MICALIPERAET1LCCR2
SCHEMBL14815343 0.91 KLRK1 (0.41) KLRK1MICALIPERAET1LCCR2
SCHEMBL14814931 0.91 KLRK1 (0.41) KLRK1MICALIPERAET1LCCR2
SCHEMBL14814669 0.91 KLRK1 (0.41) KLRK1MICALIPERAET1LCCR2
SCHEMBL14814672 0.91 LIPE (0.39) LIPELIPGSCN9A
SCHEMBL14815053 0.91 LIPE (0.39) LIPELIPGSCN9A

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-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 KLRK1 2663/4885MICA 4676/4885LIPE 4720/4885

“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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