SCHEMBL2542406

SCHEMBL2542406

C=CCC(O)(CCNC(C)C(C)(C)O[Si](C)(C)C(C)(C)C)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL2542398 1.00 MAPT (0.34) MAPTALDH1A1TSHRHTTMEN1
SCHEMBL2930064 0.84 HTT (0.34) MAPTALDH1A1TSHRHTTMEN1
SCHEMBL13808355 0.74 HRH3 (0.30)
SCHEMBL15674545 0.72 ALDH1A1 (0.40) MAPTALDH1A1TSHRHTTMEN1
SCHEMBL9954628 0.72 ALDH1A1 (0.40) MAPTALDH1A1TSHRHTTMEN1
SCHEMBL616174 0.66 ALDH1A1 (0.57) MAPTALDH1A1TSHRHTTMEN1
SCHEMBL9284492 0.65 ALDH1A1 (0.49) MAPTALDH1A1TSHRHTTMEN1
SCHEMBL12076544 0.65 ALDH1A1 (0.49) MAPTALDH1A1TSHRHTTMEN1
SCHEMBL958756 0.65 DRD2 (0.54) MAPTALDH1A1TSHR
SCHEMBL7092140 0.65 ALDH1A1 (0.49) MAPTALDH1A1TSHRHTTMEN1

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-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-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
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

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 MAPT 1974/4885ALDH1A1 156/4885TSHR 3256/4885
US-20130245051-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD17B1 MAPT 1949/4885ALDH1A1 116/4885TSHR 3457/4885

“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.