SCHEMBL12596343

SCHEMBL12596343

CC(C)(C)OC(=O)N[C@@H]1CCN[C@H]1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.53
MAOB P27338 2/20 0.53
EPHX2 P34913 1/20 0.44
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BRD9 Q9H8M2 1/20 0.41
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
KCNA3 P22001 1/20 0.39
MAOA P21397 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
TACR1 P25103 5/20 0.39
BTK Q06187 1/20 0.38
SSTR1 P30872 1/20 0.38
SSTR4 P31391 1/20 0.38
DRD2 P14416 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL5744384 0.92 KDM1A (0.51) KDM1AMAOBEPHX2KMT2AL3MBTL1
SCHEMBL6311266 0.92 KDM1A (0.51) KDM1AMAOBEPHX2KMT2AL3MBTL1
SCHEMBL5744393 0.92 KDM1A (0.51) KDM1AMAOBEPHX2KMT2AL3MBTL1
SCHEMBL5745869 0.92 KDM1A (0.51) KDM1AMAOBEPHX2KMT2AL3MBTL1
SCHEMBL5744386 0.92 KDM1A (0.51) KDM1AMAOBEPHX2KMT2AL3MBTL1
SCHEMBL5747737 0.85 KDM1A (0.43) KDM1AMAOBEPHX2KMT2AL3MBTL1
SCHEMBL1035639 0.81 TSHR (0.41) KDM1AMAOBTACR1SSTR4GAA
SCHEMBL1035641 0.81 TSHR (0.41) KDM1AMAOBTACR1SSTR4GAA
SCHEMBL1035640 0.81 TSHR (0.41) KDM1AMAOBTACR1SSTR4GAA
SCHEMBL6814816 0.81 KDM1A (0.50) KDM1AMAOBEPHX2KMT2AL3MBTL1

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-8828985-B2 Carbamate and urea inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-09-09 US disclosed
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-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
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 KDM1A 329/4885MAOB 2263/4885EPHX2 1534/4885
US-20110112062-A1 Carbamate And Urea Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD3B1, HSD17B1 KDM1A 367/4885MAOB 465/4885EPHX2 1689/4885

“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.