SCHEMBL1463687

SCHEMBL1463687

CC(NC(=O)CCC(=O)c1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.65
ALDH1A1 P00352 4/20 0.57
LMNA P02545 2/20 0.57
PRCP P42785 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
MAPT P10636 1/20 0.54
GPR139 Q6DWJ6 2/20 0.51
POLB P06746 1/20 0.47

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
SCHEMBL1463685 1.00 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1LMNAPRCPNPSR1
SCHEMBL1642308 0.82 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1LMNANPSR1KMT2A
SCHEMBL957430 0.82 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1LMNANPSR1KMT2A
SCHEMBL28640277 0.79 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1LMNAKMT2AGPR139
SCHEMBL7171542 0.79 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1LMNANPSR1KMT2A
SCHEMBL1901188 0.78 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1LMNANPSR1KMT2A
SCHEMBL1901189 0.78 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1LMNANPSR1KMT2A
SCHEMBL28310682 0.77 MAPT (0.69) ALDH1A1KMT2AMEN1MAPTGPR139
SCHEMBL11068586 0.76 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL11068391 0.76 SDCBP (0.64) NPSR1KMT2AMEN1POLB

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 8 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
US-20110071139-A1 Cycloalkyl Lactame Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC. 2011-03-24 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 (2 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 SMN1; SMN2 3205/4885ALDH1A1 115/4885LMNA 2993/4885
US-20100041637-A1 1,3-Oxazepan-2-one and 1,3-diazepan-2-one inhibitors of 11ß-hydroxysteroid dehydrogenase 1 HSD11B1, HSD17B1, HSD3B1 SMN1; SMN2 1890/4885ALDH1A1 82/4885LMNA 1822/4885

“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.