SCHEMBL2546997

SCHEMBL2546997

C=CCC(O)(CCN(C(=O)OC)C(C)(C)C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.39
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
KCNN4 O15554 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 4/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
LMNA P02545 2/20 0.32
TP53 P04637 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 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
SCHEMBL991891 0.72 ALDH1A1 (0.35) ALDH1A1HTTKMT2AMEN1KCNN4
SCHEMBL2541302 0.71 MEN1 (0.32) KMT2ASMN1; SMN2MEN1KCNN4L3MBTL1
SCHEMBL12233915 0.71 MEN1 (0.32) KMT2ASMN1; SMN2MEN1KCNN4L3MBTL1
SCHEMBL12950521 0.71 KCNN4 (0.36) ALDH1A1KMT2ASMN1; SMN2MEN1KCNN4
SCHEMBL616174 0.70 ALDH1A1 (0.57) ALDH1A1TSHRHTTKMT2ASMN1; SMN2
SCHEMBL117770 0.70 ALDH1A1 (0.46) ALDH1A1TSHRHTTKMT2ASMN1; SMN2
SCHEMBL9284492 0.69 ALDH1A1 (0.49) ALDH1A1TSHRHTTKMT2ASMN1; SMN2
SCHEMBL12076544 0.69 ALDH1A1 (0.49) ALDH1A1TSHRHTTKMT2ASMN1; SMN2
SCHEMBL4015143 0.68 KCNN4 (0.53) ALDH1A1TSHRHTTKMT2ASMN1; SMN2
SCHEMBL7092140 0.68 ALDH1A1 (0.49) ALDH1A1TSHRHTTKMT2ASMN1; 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748444-B2 Cyclic urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-06-10 US disclosed
US-8748444-B2 Cyclic urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-06-10 US disclosed
US-8748444-B2 Cyclic urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-06-10 US disclosed
US-20130245051-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2013-09-19 US disclosed
US-20130245051-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2013-09-19 US disclosed
US-20130245051-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2013-09-19 US disclosed
US-8440658-B2 Cyclic urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-8440658-B2 Cyclic urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-8440658-B2 Cyclic urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-20110263582-A1 CYCLIC UREA INHIBITORS OF 11 B-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2011-10-27 US disclosed
US-20110263582-A1 CYCLIC UREA INHIBITORS OF 11 B-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2011-10-27 US disclosed
US-20110263582-A1 CYCLIC UREA INHIBITORS OF 11 B-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2011-10-27 US disclosed
EP-2229368-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-09-22 EP disclosed
WO-2009075835-A1 CYCLIC UREA INHIBITORS OF 11β-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICAL, INC (US) 2009-06-18 WO disclosed
WO-2009075835-A1 CYCLIC UREA INHIBITORS OF 11β-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICAL, INC (US) 2009-06-18 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-20110263582-A1 CYCLIC UREA INHIBITORS OF 11 B-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 ALDH1A1 156/4885TSHR 3256/4885HTT 3089/4885
US-20130245051-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD17B1 ALDH1A1 116/4885TSHR 3457/4885HTT 3261/4885

“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.