SCHEMBL1036048

SCHEMBL1036048

CN(C(=O)c1cccnc1F)C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 2/20 0.56
GRM5 P41594 4/20 0.43
CNR2 P34972 1/20 0.43
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
DHODH Q02127 1/20 0.38
MYC P01106 1/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
AHR P35869 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
AGER Q15109 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL1034880 0.82 NAPRT (0.63) NAPRTKDM4ETDP1DHODHMAPT
SCHEMBL13335724 0.79 NAPRT (0.59) NAPRTKDM4ETDP1DHODHMYC
SCHEMBL13542934 0.77 NAPRT (0.61) NAPRTKDM4ETDP1DHODHMYC
SCHEMBL781008 0.77 NAPRT (0.56) NAPRTKDM4ETDP1MAPTSMN1; SMN2
SCHEMBL10452025 0.77 NAPRT (0.56) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL6715225 0.76 NAPRT (0.59) NAPRTKDM4ETDP1DHODHMYC
SCHEMBL2572955 0.75 NAPRT (0.58) NAPRTMAPTALDH1A1TSHRL3MBTL1
SCHEMBL4406065 0.75 NAPRT (0.58) NAPRTKDM4ETDP1MAPTSMN1; SMN2
SCHEMBL1811012 0.74 NAPRT (0.68) NAPRTKDM4ETDP1DHODHMYC
SCHEMBL4493980 0.74 GAA (0.53) NAPRTKDM4EDHODHMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8828985-B2 Carbamate and urea inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-09-09 US disclosed
US-20130244994-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 CLAREMON DAVID A (US) 2013-09-19 US disclosed
US-8399504-B2 Carbamate and urea inhibitors of 11Beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-20110112062-A1 Carbamate And Urea Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC 2011-05-12 US disclosed
EP-2276730-A2 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2011-01-26 EP disclosed
WO-2009131669-A2 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-10-29 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-20130244994-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD17B1 NAPRT 1165/4885GRM5 3261/4885CNR2 2539/4885
US-20110112062-A1 Carbamate And Urea Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD3B1, HSD17B1 NAPRT 2047/4885GRM5 3949/4885CNR2 2713/4885

“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.