SCHEMBL14815444

SCHEMBL14815444

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 3/20 0.42
▸ CCR2 P41597 9/20 0.36
▸ KCNH2 Q12809 7/20 0.36
▸ SOS1 Q07889 4/20 0.34
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ DDR2 Q16832 1/20 0.33

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
SCHEMBL14814741 0.90 LIPE (0.39) LIPECCR2KCNH2SOS1CHRM2
SCHEMBL14815265 0.89 CCR2 (0.34) LIPECCR2KCNH2SOS1CHRM2
SCHEMBL14814823 0.89 LIPE (0.34) LIPECCR2KCNH2SOS1CHRM2
SCHEMBL14815255 0.89 KLRK1 (0.37) LIPECCR2KCNH2SOS1DDR2
SCHEMBL14815239 0.89 KLRK1 (0.37) LIPECCR2KCNH2SOS1DDR2
SCHEMBL14815287 0.87 KLRK1 (0.40) LIPECCR2KCNH2SOS1DDR2
SCHEMBL14814867 0.87 SOS1 (0.34) LIPECCR2KCNH2SOS1CHRM2
SCHEMBL14815153 0.86 KLRK1 (0.40) CCR2KCNH2SOS1DDR2
SCHEMBL14815384 0.86 KLRK1 (0.40) CCR2KCNH2SOS1CHRM2CHRM4
SCHEMBL14815051 0.86 KLRK1 (0.40) CCR2KCNH2SOS1CHRM2CHRM4

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 LIPE 4720/4885CCR2 2651/4885KCNH2 16/4885

“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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