SCHEMBL14815202

SCHEMBL14815202

O=C(c1cc(F)cc(C(F)(F)F)c1)N1CC[C@@H]2CC[C@H](Oc3cnc(C4CC4)cn3)N2C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.36
▸ USP2 O75604 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ RHOA P61586 3/20 0.33
▸ RHOC P08134 2/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ HCRTR1 O43613 4/20 0.33
▸ LIPE Q05469 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PDK1 Q15118 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ BDKRB1 P46663 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
SCHEMBL14815371 0.88 RBP4 (0.44) HSD11B1
SCHEMBL14815225 0.88 RBP4 (0.44) HSD11B1
SCHEMBL14815458 0.88 GAA (0.41) JAK2CYP2C9CNR1CYP2C19HSD11B1
SCHEMBL14815376 0.86 LIPE (0.38) CNR1LIPE
SCHEMBL14815222 0.84 P2RX7 (0.39) JAK2CYP2C9CYP2D6CYP2C19HSD11B1
SCHEMBL14815378 0.82 KMT2A (0.42) LIPESMN1; SMN2
SCHEMBL14815245 0.81 MGLL (0.37) HSD11B1EGLN1HRH3
SCHEMBL14815342 0.80 KDM4E (0.38) —
SCHEMBL14815136 0.79 LIPE (0.42) LIPE
SCHEMBL14815461 0.79 LIPE (0.41) CNR1LIPEHRH3

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 JAK2 1864/4885USP2 4265/4885CYP2C9 1949/4885

“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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