SCHEMBL14815488

SCHEMBL14815488

FC(F)(F)c1ccnc(N[C@@H]2CC[C@H]3CCN(c4ccc(Cl)cn4)CN32)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HCRTR1 O43613 2/20 0.34
▸ HCRTR2 O43614 2/20 0.34
▸ P2RX3 P56373 2/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ DRD4 P21917 2/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ LCAT P04180 1/20 0.34
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ MALT1 Q9UDY8 1/20 0.33
▸ CHIA Q9BZP6 1/20 0.33
▸ RBP4 P02753 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ HTR7 P34969 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
SCHEMBL14815124 0.85 IDO1 (0.35) KDM4EMAPTHCRTR1HCRTR2P2RX3
SCHEMBL14814765 0.84 HCRTR1 (0.41) SYKHCRTR1HCRTR2DRD4DRD2
SCHEMBL14814849 0.81 RBP4 (0.41) KDM4EHCRTR1HCRTR2LCATRBP4
SCHEMBL14815472 0.79 HRH3 (0.38) DRD4DRD2LCATHTR1AHTR2A
SCHEMBL14815290 0.75 HCRTR1 (0.42) SYKHCRTR1HCRTR2
SCHEMBL14815130 0.74 DRD2 (0.42) SYKP2RX3DRD4DRD2CCNC
SCHEMBL14815286 0.73 SYK (0.42) SYKHTR2A
SCHEMBL14815518 0.70 PHGDH (0.41) HCRTR1HCRTR2DRD2DRD3
SCHEMBL30775331 0.64 IDH1 (0.57) SYKKDM4EMALT1
SCHEMBL14814812 0.60 DRD2 (0.42) P2RX3DRD4DRD2

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 SYK 2155/4885KDM4E 3058/4885MAPT 2755/4885

“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.

Send feedback