SCHEMBL1773386

SCHEMBL1773386

C=CCC(O)(CCNN(C)c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KCNN4 O15554 2/20 0.31
TSHR P16473 1/20 0.31
DRD2 P14416 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
ACKR3 P25106 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
ATM Q13315 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL957784 0.73 KCNN4 (0.38) L3MBTL1KMT2ALMNAKCNN4CYP2C19
SCHEMBL13953686 0.70 HRH3 (0.35) ALDH1A1SMN1; SMN2KCNN4TSHRCYP2C19
SCHEMBL118861 0.70 HRH3 (0.35) ALDH1A1SMN1; SMN2KCNN4TSHRCYP2C19
SCHEMBL13953687 0.69 CASR (0.38) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL957448 0.69 CASR (0.38) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL958027 0.68 CHRM4 (0.40) ALDH1A1MAPTKDM4E
SCHEMBL13808355 0.68 HRH3 (0.30)
SCHEMBL958025 0.68 CYP2D6 (0.39) TSHRKCNH2
SCHEMBL13638260 0.68 ALDH1A1 (0.35) ALDH1A1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL13953545 0.67 HTR6 (0.37) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2

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-8592409-B2 Cyclic carbazate and semicarbazide inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-26 US disclosed
EP-2252601-B1 CYCLIC CARBAZATE AND SEMICARBAZIDE INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2012-12-19 EP disclosed
US-20110112082-A1 CYCLIC CARBAZATE AND SEMICARBAZIDE INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2011-05-12 US disclosed
US-20110112082-A1 CYCLIC CARBAZATE AND SEMICARBAZIDE INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2011-05-12 US disclosed
US-20110112082-A1 CYCLIC CARBAZATE AND SEMICARBAZIDE INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2011-05-12 US disclosed
EP-2252601-A1 CYCLIC CARBAZATE AND SEMICARBAZIDE INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-11-24 EP disclosed
WO-2009094169-A1 CYCLIC CARBAZATE AND SEMICARBAZIDE INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-07-30 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-20110112082-A1 CYCLIC CARBAZATE AND SEMICARBAZIDE INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD11B2 L3MBTL1 4214/4885ALDH1A1 39/4885MEN1 2283/4885

“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.