SCHEMBL2123789

SCHEMBL2123789

Cc1cncn2c(Cl)c(C[C@@H]3CCCCN3C(=O)OC(C)(C)C)nc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 1/20 0.41
PARP1 P09874 2/20 0.37
KDM1A O60341 1/20 0.36
PDE7B Q9NP56 1/20 0.35
CHEK2 O96017 1/20 0.35
ATM Q13315 2/20 0.35
UCHL1 P09936 1/20 0.35
USP30 Q70CQ3 1/20 0.35
METTL3 Q86U44 1/20 0.35
PRMT5 O14744 1/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
TSHR P16473 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
SCHEMBL2124396 0.85 PDE8B (0.41) PDE8BPARP1KDM1ACHEK2METTL3
SCHEMBL2122738 0.81 PDE8B (0.41) PDE8BPARP1KDM1ACHEK2ATM
SCHEMBL2128347 0.79 PDE8B (0.40) PDE8BPARP1KDM1ACHEK2ATM
SCHEMBL311516 0.79 PDE8B (0.40) PDE8BPARP1KDM1APDE7BCHEK2
SCHEMBL2512520 0.77 PDE8B (0.42) PDE8BPARP1KDM1ACHEK2METTL3
SCHEMBL12225863 0.77 PDE8B (0.43) PDE8BPARP1KDM1APDE7BCHEK2
SCHEMBL2122675 0.76 METTL3 (0.41) PDE8BKDM1ACHEK2METTL3PRMT5
SCHEMBL2517432 0.76 PDE8B (0.41) PDE8BPARP1KDM1ACHEK2METTL3
SCHEMBL2121787 0.75 HCRTR1 (0.53)
SCHEMBL2122869 0.74 METTL3 (0.38) PDE8BKDM1APDE7BCHEK2METTL3

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-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-04-19 US disclosed

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-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, GPR119 PDE8B 3453/4885PARP1 3028/4885KDM1A 484/4885

“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.