SCHEMBL5207933

SCHEMBL5207933

CC(C)(C)OC(=O)c1ccc(N2CCC(N)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.56
USP2 O75604 1/20 0.47
SMYD3 Q9H7B4 1/20 0.46
ALDH1A1 P00352 3/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40

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
SCHEMBL2409985 0.92 GPR119 (0.51) GPR119USP2SMYD3ALDH1A1CA12
SCHEMBL2409983 0.92 GPR119 (0.51) GPR119USP2SMYD3ALDH1A1CA12
SCHEMBL20443678 0.87 USP2 (0.63) GPR119USP2ALDH1A1MAPTMEN1
SCHEMBL23051648 0.87 GPR119 (0.55) GPR119USP2ALDH1A1CA12CA1
SCHEMBL21679219 0.84 GPR119 (0.53) GPR119USP2ALDH1A1
SCHEMBL17557647 0.84 ALDH1A1 (0.61) USP2SMYD3ALDH1A1MAPTMEN1
SCHEMBL20046359 0.83 GPR119 (0.52) GPR119USP2ALDH1A1CA12CA1
SCHEMBL20046615 0.83 GPR119 (0.52) GPR119USP2ALDH1A1MAPTMEN1
SCHEMBL8159908 0.83 MAPT (0.51) GPR119USP2ALDH1A1CA12CA1
Hydrochloric Acid SCHEMBL17557749 0.82 ALDH1A1 (0.60) USP2SMYD3ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2527340-B1 PIPERAZINE COMPOUND HAVING A PGDS INHIBITORY EFFECT TAIHO PHARMACEUTICAL CO LTD (JP) 2016-08-17 EP disclosed
US-8765750-B2 Piperazine compound having a PGDS inhibitory effect TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-07-01 US disclosed
US-20120309760-A1 PIPERAZINE COMPOUND HAVING A PGDS INHIBITORY EFFECT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2012-12-06 US disclosed
EP-1242083-B1 PHENOXYPROPANOLAMINES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI AVENTIS (FR) 2007-03-14 EP disclosed
US-6867220-B2 Phenoxypropanolamines, method for producing them and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2005-03-15 US disclosed
US-20030040530-A1 Phenoxypropanolamines, method for producing them and pharmaceutical compositions containning them SANOFI-AVENTIS (FR) 2003-02-27 US disclosed
EP-1242083-A1 PHENOXYPROPANOLAMINES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Sanofi-Aventis (FR) 2002-09-25 EP disclosed
WO-2001043744-A1 PHENOXYPROPANOLAMINES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2001-06-21 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-20120309760-A1 PIPERAZINE COMPOUND HAVING A PGDS INHIBITORY EFFECT GRIK5, GRK5, KCNJ5 GPR119 800/4885USP2 3731/4885SMYD3 4079/4885
US-20030040530-A1 Phenoxypropanolamines, method for producing them and pharmaceutical compositions containning them CNR1, CORO1C, CBR1 GPR119 1715/4885USP2 3662/4885SMYD3 1461/4885

“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.