SCHEMBL957448

SCHEMBL957448

C=CCC(O)(CCN[C@@H](C)c1cccc(F)c1)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.38
KMT2A Q03164 2/20 0.34
MITF O75030 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SLC6A9 P48067 1/20 0.34
SLC6A5 Q9Y345 1/20 0.34
KCNN4 O15554 2/20 0.32
NPC1 O15118 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
MEN1 O00255 1/20 0.31
MTOR P42345 1/20 0.31
KCNK3 O14649 1/20 0.31
TNF P01375 1/20 0.31

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
SCHEMBL13953687 1.00 CASR (0.38) CASRKMT2AMITFALDH1A1LMNA
SCHEMBL13953572 0.90 MTNR1A (0.33) CASRKMT2AMITFALDH1A1LMNA
SCHEMBL15368397 0.84 GPR139 (0.35) ALDH1A1LMNAHTT
SCHEMBL13638260 0.83 ALDH1A1 (0.35) CASRKMT2AMITFALDH1A1LMNA
SCHEMBL13624881 0.77 LPL (0.40) KMT2AMITFALDH1A1LMNAMAPT
SCHEMBL14865107 0.76 CASR (0.34) CASRKMT2AMITFALDH1A1LMNA
SCHEMBL13808355 0.75 HRH3 (0.30)
SCHEMBL1904136 0.73 HTT (0.35) CASRKMT2AMITFALDH1A1LMNA
SCHEMBL957784 0.71 KCNN4 (0.38) KMT2ALMNAHTTKCNN4
SCHEMBL13479508 0.71 CASR (0.44) CASRKMT2AMITFALDH1A1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183228-B1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-08-20 EP disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals ,Inc. 2011-01-20 US disclosed
EP-2183228-A1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 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-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 CASR 4499/4885KMT2A 4200/4885MITF 3995/4885

“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.