SCHEMBL5481737

SCHEMBL5481737

O=C(Nc1ccccc1)C(Cc1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.56
EPHX2 P34913 2/20 0.49
MAPT P10636 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 2/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
EPHX1 P07099 1/20 0.44
TSHR P16473 1/20 0.44
CDK9 P50750 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
PDK1 Q15118 2/20 0.44

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
SCHEMBL11883935 0.81 HDAC1 (0.52) MMP8EPHX2MAPTMEN1KMT2A
SCHEMBL11611265 0.78 CYP1A2 (0.50) MMP8ALDH1A1MAPK1CYP1A2CYP2C9
SCHEMBL4248432 0.77 HIF1A (0.55) ALDH1A1MAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL6017676 0.77 MMP8 (0.67) MMP8EPHX2MAPTMEN1KMT2A
SCHEMBL7534638 0.76 CXCR1 (0.45) PDK1PDK2PDK3PDK4
SCHEMBL23388168 0.76 MMP8 (0.65) MMP8EPHX2MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL11611268 0.76 SMN1; SMN2 (0.53) ALDH1A1MAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL5678689 0.75 MAPT (0.53) MMP8EPHX2MAPTMEN1KMT2A
SCHEMBL28927912 0.75 MMP8 (0.63) MMP8EPHX2MAPTHTTSMN1; SMN2
SCHEMBL29799729 0.74 OPRM1 (0.63) MMP8MAPTMEN1KMT2AHTT

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-20070010568-A1 Substituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORY LIMITED (IN) 2007-01-11 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-20070010568-A1 Substituted azabicyclo hexane derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 MMP8 3532/4885EPHX2 278/4885MAPT 3861/4885

“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.