SCHEMBL1463909

SCHEMBL1463909

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HTR7 P34969 1/20 0.36
LMNA P02545 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
ALOX5 P09917 1/20 0.35
NR1I2 O75469 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CHRM3 P20309 1/20 0.35
SLC6A2 P23975 1/20 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
SCHEMBL1463908 1.00 NPC1 (0.37) NPC1RAB9AHTR7LMNASIGMAR1
SCHEMBL1641198 0.89 KMT2A (0.42) NPC1RAB9ALMNAALDH1A1ALOX5
SCHEMBL1641199 0.89 KMT2A (0.42) NPC1RAB9ALMNAALDH1A1ALOX5
SCHEMBL3655071 0.88 KMT2A (0.39) NPC1RAB9AHTR7SIGMAR1ALDH1A1
SCHEMBL3655073 0.88 KMT2A (0.39) NPC1RAB9AHTR7SIGMAR1ALDH1A1
SCHEMBL12746389 0.84 ALOX5 (0.36) ALOX5AAK1MEN1KMT2ATXNRD1
SCHEMBL1464036 0.84 ALOX5 (0.36) ALOX5AAK1MEN1KMT2ATXNRD1
SCHEMBL1463846 0.83 SMN1; SMN2 (0.38) NPC1RAB9ALMNAALDH1A1MAPT
SCHEMBL1463848 0.83 SMN1; SMN2 (0.38) NPC1RAB9ALMNAALDH1A1MAPT
SCHEMBL2543621 0.82 NPC1 (0.42) NPC1RAB9AHTR7LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680281-B2 Lactam inhibitors of 11-β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-03-25 US disclosed
US-8680281-B2 Lactam inhibitors of 11-β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-03-25 US disclosed
US-8680281-B2 Lactam inhibitors of 11-β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-03-25 US disclosed
US-8598160-B2 Cycloalkyl lactame derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-12-03 US disclosed
US-20110098320-A1 Lactam Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC. 2011-04-28 US disclosed
US-20110098320-A1 Lactam Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC. 2011-04-28 US disclosed
US-20110098320-A1 Lactam Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC. 2011-04-28 US disclosed
US-20110071139-A1 Cycloalkyl Lactame Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110071139-A1 Cycloalkyl Lactame Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC. 2011-03-24 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-2240448-A1 LACTAM INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-10-20 EP disclosed
WO-2009102460-A2 INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed
WO-2009102460-A2 INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed
WO-2009088997-A1 LACTAM INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-07-16 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 NPC1 446/4885RAB9A 3731/4885HTR7 3896/4885
US-20110098320-A1 Lactam Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD11B2, HSD17B1 NPC1 563/4885RAB9A 3237/4885HTR7 4055/4885

“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.