SCHEMBL4388623

SCHEMBL4388623

COc1cc2ccccc2c(C2NCCc3ccccc32)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.48
GID4 Q8IVV7 1/20 0.48
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CETP P11597 1/20 0.43
PRCP P42785 2/20 0.43
RECQL P46063 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
ADRB2 P07550 3/20 0.41
OPRM1 P35372 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRB3 P13945 1/20 0.41
ADRA2B P18089 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR7 P34969 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
SCHEMBL11948848 0.87 GID4 (0.49) MAOAGID4MEN1KMT2APRCP
SCHEMBL4391481 0.81 PRCP (0.46) MAOAGID4MEN1KMT2APRCP
SCHEMBL11948842 0.80 MAPT (0.42) MAOAGID4MEN1KMT2APRCP
SCHEMBL4396321 0.77 GID4 (0.55) MAOAGID4PRCPRECQLGAA
SCHEMBL6986104 0.76 PRCP (0.52) MAOAGID4MEN1KMT2APRCP
SCHEMBL4120535 0.76 PRCP (0.50) GID4MEN1KMT2APRCPRECQL
SCHEMBL11948845 0.75 GID4 (0.56) MAOAGID4MEN1KMT2APRCP
SCHEMBL6986787 0.75 GID4 (0.55) MAOAGID4MEN1KMT2ACETP
SCHEMBL11948855 0.74 PRCP (0.48) MAOAGID4MEN1KMT2APRCP
SCHEMBL11956303 0.73 SMN1; SMN2 (0.47) MAOAMEN1KMT2APRCPGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232399-B2 Chiral ligands, their preparation and uses thereof in asymmetric reactions Li, Chao-Jun (CA) 2012-07-31 US disclosed
US-8232399-B2 Chiral ligands, their preparation and uses thereof in asymmetric reactions Li, Chao-Jun (CA) 2012-07-31 US disclosed
US-8232399-B2 Chiral ligands, their preparation and uses thereof in asymmetric reactions Li, Chao-Jun (CA) 2012-07-31 US disclosed
US-20090306390-A1 CHIRAL LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASYMMETRIC REACTIONS CHAO-JUN LI (CA) 2009-12-10 US disclosed
WO-2007098608-A1 CHIRAL LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASSYMETRIC REACTIONS LI CHAO-JUN (CA) 2007-09-07 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-20090306390-A1 CHIRAL LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASYMMETRIC REACTIONS OR10J3, C1R, C3AR1 MAOA 3850/4885GID4 2774/4885MEN1 3770/4885

“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.