SCHEMBL3206771

SCHEMBL3206771

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALOX5 P09917 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.40
AOC3 Q16853 1/20 0.40
CNR1 P21554 1/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD1 P21728 1/20 0.39
TBXA2R P21731 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL3206769 1.00 MEN1 (0.44) MEN1KMT2AALOX5SMN1; SMN2ALDH1A1
SCHEMBL3206781 1.00 MEN1 (0.44) MEN1KMT2AALOX5SMN1; SMN2ALDH1A1
SCHEMBL1464057 0.84 MEN1 (0.42) MEN1KMT2AALOX5SMN1; SMN2ALDH1A1
SCHEMBL9962943 0.84 MEN1 (0.42) MEN1KMT2AALOX5SMN1; SMN2ALDH1A1
SCHEMBL1464059 0.83 RIPK1 (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL3408772 0.83 ALOX5 (0.41) MEN1KMT2AALOX5ALDH1A1KDM4E
SCHEMBL3408775 0.83 ALOX5 (0.41) MEN1KMT2AALOX5ALDH1A1KDM4E
SCHEMBL3408769 0.83 ALOX5 (0.41) MEN1KMT2AALOX5ALDH1A1KDM4E
SCHEMBL13953597 0.79 ALOX5 (0.40) MEN1KMT2AALOX5SMN1; SMN2ALDH1A1
SCHEMBL15241454 0.79 ALOX5 (0.38) MEN1KMT2AALOX5SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598160-B2 Cycloalkyl lactame derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-12-03 US disclosed
US-8202857-B2 1,3-oxazepan-2-one and 1,3-diazepan-2-one inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
EP-2254872-A2 CYCLOALKYL LACTAME DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-12-01 EP disclosed
EP-2252598-A2 1,3-OXAZEPAN-2-ONE AND 1,3-DIAZEPAN-2-ONE INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-11-24 EP disclosed
US-20100041637-A1 1,3-Oxazepan-2-one and 1,3-diazepan-2-one inhibitors of 11ß-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2010-02-18 US disclosed
WO-2009102460-A2 INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed
WO-2009102428-A2 1,3-OXAZEPAN-2-ONE AND 1,3-DIAZEPAN-2-ONE INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-08-20 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-20100041637-A1 1,3-Oxazepan-2-one and 1,3-diazepan-2-one inhibitors of 11ß-hydroxysteroid dehydrogenase 1 HSD11B1, HSD17B1, HSD3B1 MEN1 615/4885KMT2A 4339/4885ALOX5 860/4885

“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.