SCHEMBL14814839

SCHEMBL14814839

COC(C(=O)N1CC[C@@H]2CC[C@H](Oc3cnc(C4CC4)cn3)N2C1)(c1ccccc1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 2/20 0.33
▸ LIPE Q05469 5/20 0.33
▸ DGAT1 O75907 1/20 0.31
▸ GPR119 Q8TDV5 2/20 0.30
▸ MAPK7 Q13164 1/20 0.30

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
SCHEMBL14815419 0.83 CCR2 (0.37) LIPEMAPK7
SCHEMBL14815314 0.79 CACNA1B (0.36) LIPE
SCHEMBL14815149 0.79 GPR119 (0.32) GPR119
SCHEMBL14815317 0.79 RET (0.37) RETLIPEGPR119
SCHEMBL14815371 0.78 RBP4 (0.44) —
SCHEMBL14815225 0.78 RBP4 (0.44) —
SCHEMBL14815458 0.78 GAA (0.41) MAPK7
SCHEMBL14815444 0.77 LIPE (0.42) LIPE
SCHEMBL14815261 0.76 LIPE (0.34) LIPE
SCHEMBL14814700 0.76 KDM4E (0.44) —

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 RET 3066/4885LIPE 4720/4885DGAT1 3449/4885

“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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