SCHEMBL14814867

SCHEMBL14814867

CN(C(=O)O)C(C(=O)N1CC[C@@H]2CC[C@H](Oc3cnc(C4CC4)cn3)N2C1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 6/20 0.34
▸ KLRK1 P26718 3/20 0.33
▸ MICA Q29983 3/20 0.33
▸ LIPE Q05469 3/20 0.33
▸ CCR2 P41597 4/20 0.32
▸ KCNH2 Q12809 3/20 0.32
▸ RAET1L Q5VY80 2/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ DDR2 Q16832 1/20 0.32

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
SCHEMBL14814823 0.94 LIPE (0.34) SOS1KLRK1MICALIPECCR2
SCHEMBL14814704 0.92 SOS1 (0.33) SOS1KLRK1MICALIPECCR2
SCHEMBL14814929 0.91 LIPE (0.34) LIPE
SCHEMBL14815313 0.91 LIPE (0.34) LIPE
SCHEMBL14815224 0.91 LIPE (0.34) LIPE
SCHEMBL14814741 0.87 LIPE (0.39) SOS1KLRK1MICALIPECCR2
SCHEMBL14815444 0.87 LIPE (0.42) SOS1LIPECCR2KCNH2CHRM2
SCHEMBL14815265 0.87 CCR2 (0.34) SOS1KLRK1MICALIPECCR2
SCHEMBL14815287 0.86 KLRK1 (0.40) SOS1KLRK1MICALIPECCR2
SCHEMBL14815239 0.86 KLRK1 (0.37) SOS1KLRK1MICALIPECCR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — US claimed

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 SOS1 1445/4885KLRK1 2663/4885MICA 4676/4885

“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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