SCHEMBL1464036

SCHEMBL1464036

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
IGF1R P08069 2/20 0.36
AAK1 Q2M2I8 2/20 0.35
AOC3 Q16853 1/20 0.35
SSTR4 P31391 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PYCR1 P32322 1/20 0.33
TXNRD1 Q16881 1/20 0.33
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
ROCK1 Q13464 1/20 0.32

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
SCHEMBL12746389 1.00 ALOX5 (0.36) ALOX5IGF1RAAK1AOC3SSTR4
SCHEMBL1463909 0.84 NPC1 (0.37) ALOX5AAK1MEN1KMT2ATXNRD1
SCHEMBL1463908 0.84 NPC1 (0.37) ALOX5AAK1MEN1KMT2ATXNRD1
SCHEMBL1464057 0.84 MEN1 (0.42) ALOX5AAK1MEN1KMT2A
SCHEMBL9962943 0.84 MEN1 (0.42) ALOX5AAK1MEN1KMT2A
SCHEMBL3408772 0.83 ALOX5 (0.41) ALOX5IGF1RAOC3MEN1KMT2A
SCHEMBL3408769 0.83 ALOX5 (0.41) ALOX5IGF1RAOC3MEN1KMT2A
SCHEMBL3408775 0.83 ALOX5 (0.41) ALOX5IGF1RAOC3MEN1KMT2A
SCHEMBL15784772 0.80 ALOX5 (0.40) ALOX5AAK1MEN1KMT2APYCR1
SCHEMBL1642464 0.77 ALDH1A1 (0.33) ALOX5AAK1KMT2A

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 ALOX5 990/4885IGF1R 378/4885AAK1 3454/4885

“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.