SCHEMBL1464040

SCHEMBL1464040

CC(C)(C)C(C)(c1ccc(Br)cc1)N(CCC(O)c1ccc(F)cc1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.36
AOC3 Q16853 1/20 0.35
SLC6A9 P48067 3/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SLC6A3 Q01959 1/20 0.32
ALOX5 P09917 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SLC6A5 Q9Y345 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL1464061 0.84 MEN1 (0.41) SLC6A9MEN1KMT2AALDH1A1MAPT
SCHEMBL3408775 0.76 ALOX5 (0.41) IGF1RAOC3MEN1KMT2AALOX5
SCHEMBL3408769 0.76 ALOX5 (0.41) IGF1RAOC3MEN1KMT2AALOX5
SCHEMBL3408772 0.76 ALOX5 (0.41) IGF1RAOC3MEN1KMT2AALOX5
SCHEMBL1464039 0.75 IGF1R (0.36) IGF1RAOC3SLC6A9MEN1KMT2A
SCHEMBL1464036 0.70 ALOX5 (0.36) IGF1RAOC3MEN1KMT2AALOX5
SCHEMBL12746389 0.70 ALOX5 (0.36) IGF1RAOC3MEN1KMT2AALOX5
SCHEMBL16243708 0.68 HDAC3 (0.37) ALOX5CYP2C9
SCHEMBL1529441 0.68 RIPK1 (0.53) AOC3MEN1KMT2AALDH1A1HTT
SCHEMBL5069200 0.68 RIPK1 (0.53) AOC3MEN1KMT2AALDH1A1HTT

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 IGF1R 378/4885AOC3 1966/4885SLC6A9 2981/4885

“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.