SCHEMBL959016

SCHEMBL959016

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.44
PYCR1 P32322 1/20 0.38
CYP1A2 P05177 2/20 0.35
GAA P10253 1/20 0.35
HSD11B1 P28845 1/20 0.33
RAB9A P51151 1/20 0.33
HTR2A P28223 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALOX5 P09917 1/20 0.32
HTT P42858 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
SCHEMBL959017 1.00 MIF (0.44) MIFPYCR1CYP1A2GAAHSD11B1
SCHEMBL9227592 0.90 MIF (0.52) MIFCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6432673 0.86 PYCR1 (0.39) MIFPYCR1CYP1A2GAAHSD11B1
SCHEMBL23527635 0.83 MIF (0.46) MIFCYP1A2GAAHSD11B1ALDH1A1
SCHEMBL21259586 0.83 MIF (0.46) MIFCYP1A2GAAHSD11B1ALDH1A1
SCHEMBL6194699 0.81 MIF (0.44) MIFHSD11B1HPGDHSD17B10HTT
SCHEMBL10341453 0.81 MIF (0.44) MIF
SCHEMBL21259575 0.81 MIF (0.44) MIFALDH1A1HTT
SCHEMBL6194706 0.81 MIF (0.44) MIFHSD11B1HPGDHSD17B10HTT
SCHEMBL23527546 0.81 MIF (0.44) MIFALDH1A1HTT

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
EP-2183228-B1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-08-20 EP disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals ,Inc. 2011-01-20 US disclosed
EP-2183228-A1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 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-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 MIF 148/4885PYCR1 480/4885CYP1A2 120/4885

“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.