SCHEMBL10120640

SCHEMBL10120640

CN1CCN(c2ccc(N)c(Cl)c2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
PAK1 Q13153 1/20 0.42
DRD2 P14416 5/20 0.42
DRD3 P35462 5/20 0.42
KCNH2 Q12809 4/20 0.42
PKM P14618 1/20 0.41
HTR2C P28335 5/20 0.39
HTR2A P28223 3/20 0.39
HTR2B P41595 3/20 0.39
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL10120650 0.85 PKM (0.49) SLC6A2SLC6A4DRD2DRD3KCNH2
SCHEMBL25272183 0.83 SLC6A2 (0.44) SLC6A2SLC6A4PAK1DRD2DRD3
SCHEMBL23205926 0.81 DRD3 (0.39) PAK1DRD2DRD3KCNH2HTR2C
SCHEMBL10105626 0.80 DRD2 (0.40) SLC6A2SLC6A4PAK1DRD2DRD3
SCHEMBL26074254 0.80 DRD2 (0.40) SLC6A2SLC6A4PAK1DRD2DRD3
SCHEMBL12362744 0.79 SLC6A2 (0.41) SLC6A2SLC6A4PAK1DRD2DRD3
SCHEMBL25422480 0.78 DRD2 (0.36) SLC6A2SLC6A4PAK1DRD2DRD3
SCHEMBL29537388 0.78 DRD2 (0.36) SLC6A2SLC6A4PAK1DRD2DRD3
SCHEMBL22349847 0.78 DRD2 (0.54) DRD2DRD3
SCHEMBL24195923 0.77 DRD3 (0.44) DRD2DRD3KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
WO-2010114958-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2010-10-07 WO 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-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, BDKRB2, GLP1R SLC6A2 1523/4885SLC6A4 1736/4885PAK1 2347/4885

“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.