SCHEMBL2567029

SCHEMBL2567029

C=CCC(O)(CCN(C(=O)O)C(C)C(C)(C)C)c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.33
HTT P42858 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
KIF11 P52732 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
SCHEMBL2567032 1.00 KCNN4 (0.33) KCNN4HTTSLC6A2SLC6A4SLC6A3
SCHEMBL2567035 1.00 KCNN4 (0.33) KCNN4HTTSLC6A2SLC6A4SLC6A3
SCHEMBL2541302 0.88 MEN1 (0.32) KCNN4SMN1; SMN2
SCHEMBL12233915 0.88 MEN1 (0.32) KCNN4SMN1; SMN2
SCHEMBL2541305 0.87 RIPK1 (0.30) ALDH1A1
SCHEMBL2541306 0.87 RIPK1 (0.30) ALDH1A1
SCHEMBL2934660 0.79 KMT2A (0.31) SMN1; SMN2
SCHEMBL957784 0.72 KCNN4 (0.38) KCNN4HTTKIF11
SCHEMBL2548746 0.70
SCHEMBL13953598 0.70 GPR139 (0.32) SLC6A2SLC6A4SLC6A3ALDH1A1

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 KCNN4 4630/4885HTT 3089/4885SLC6A2 2195/4885
US-20130245051-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD17B1 KCNN4 4489/4885HTT 3261/4885SLC6A2 2183/4885

“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.