SCHEMBL14815124

SCHEMBL14815124

FC(F)(F)c1cccc(N[C@@H]2CC[C@H]3CCN(c4ccc(Cl)cn4)CN32)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ P2RX3 P56373 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ IDH2 P48735 5/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ HCRTR2 O43614 2/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ LCAT P04180 1/20 0.34
▸ GRM2 Q14416 1/20 0.33
▸ DEGS1 O15121 1/20 0.33
▸ MALT1 Q9UDY8 1/20 0.33
▸ CHIA Q9BZP6 1/20 0.33
▸ BTK Q06187 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
SCHEMBL14815472 0.89 HRH3 (0.38) DRD2DRD4LCAT
SCHEMBL14815518 0.86 PHGDH (0.41) IDH2DRD2HCRTR2HCRTR1
SCHEMBL14815488 0.85 SYK (0.35) KDM4EMAPTP2RX3GPR119DRD2
SCHEMBL14814849 0.79 RBP4 (0.41) IDO1TDO2KDM4EHCRTR2HCRTR1
SCHEMBL14814765 0.75 HCRTR1 (0.41) IDH2DRD2DRD4HCRTR2HCRTR1
SCHEMBL14815323 0.74 HCRTR2 (0.43) IDH2DRD2DRD4HCRTR2HCRTR1
SCHEMBL14814812 0.74 DRD2 (0.42) P2RX3IDH2DRD2DRD4
SCHEMBL14815443 0.72 HCRTR2 (0.40) IDH2HCRTR2HCRTR1
SCHEMBL14815100 0.71 HCRTR2 (0.41) DRD2DRD4HCRTR2HCRTR1BTK
SCHEMBL14815301 0.70 EPHX2 (0.41) HCRTR2HCRTR1

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 IDO1 2190/4885TDO2 2499/4885KDM4E 3058/4885

“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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