SCHEMBL1464057

SCHEMBL1464057

CC(c1ccc(Br)cc1)N(CCC[C@H](O)c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RIPK1 Q13546 1/20 0.42
KDM4E B2RXH2 1/20 0.38
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CTSK P43235 2/20 0.35

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
SCHEMBL9962943 1.00 MEN1 (0.42) MEN1KMT2ARIPK1KDM4EALOX5
SCHEMBL1463038 0.89 ALOX5 (0.38) MEN1KMT2AALOX5ALDH1A1LMNA
SCHEMBL15784772 0.84 ALOX5 (0.40) MEN1KMT2AKDM4EALOX5ALDH1A1
SCHEMBL1463846 0.84 SMN1; SMN2 (0.38) MEN1KMT2AALOX5ALDH1A1LMNA
SCHEMBL1463848 0.84 SMN1; SMN2 (0.38) MEN1KMT2AALOX5ALDH1A1LMNA
SCHEMBL3206769 0.84 MEN1 (0.44) MEN1KMT2ARIPK1KDM4EALOX5
SCHEMBL3206781 0.84 MEN1 (0.44) MEN1KMT2ARIPK1KDM4EALOX5
SCHEMBL3206771 0.84 MEN1 (0.44) MEN1KMT2ARIPK1KDM4EALOX5
SCHEMBL1464036 0.84 ALOX5 (0.36) MEN1KMT2AALOX5AAK1
SCHEMBL12746389 0.84 ALOX5 (0.36) MEN1KMT2AALOX5AAK1

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-20110071139-A1 Cycloalkyl Lactame Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC. 2011-03-24 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-20110071139-A1 Cycloalkyl Lactame Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD17B1, HSD3B1 MEN1 730/4885KMT2A 4307/4885RIPK1 4474/4885

“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.