SCHEMBL10120650

SCHEMBL10120650

Cc1ccc(N2CCN(C)C2=O)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 3/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
GFER P55789 1/20 0.43
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
KCNH2 Q12809 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL10120640 0.85 SLC6A2 (0.42) PKMSLC6A2SLC6A4DRD2DRD3
SCHEMBL25272183 0.84 SLC6A2 (0.44) SLC6A2SLC6A4DRD2DRD3KCNH2
SCHEMBL10120657 0.82 SCN9A (0.40) ALDH1A1SMN1; SMN2MAPTGFERDRD2
SCHEMBL26074254 0.81 DRD2 (0.40) SLC6A2SLC6A4DRD2DRD3KCNH2
SCHEMBL10105626 0.81 DRD2 (0.40) SLC6A2SLC6A4DRD2DRD3KCNH2
SCHEMBL9819263 0.81 PKM (0.50) PKMALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL12362744 0.81 SLC6A2 (0.41) ALDH1A1SLC6A2SLC6A4DRD2DRD3
SCHEMBL14733323 0.80 PKM (0.46) PKMALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL22349847 0.79 DRD2 (0.54) ALDH1A1KMT2AMEN1MAPTDRD2
SCHEMBL15448368 0.77 DRD2 (0.55) PKMSMN1; SMN2KMT2AMEN1DRD2

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-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 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-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, BDKRB2, GLP1R PKM 1561/4885ALDH1A1 1743/4885HPGD 251/4885

“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.