SCHEMBL3289504

SCHEMBL3289504

COC(=O)N1CCC(Oc2cccc(NC(=O)c3ccccc3-c3ccc(OC)cc3)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.60
KDM4E B2RXH2 2/20 0.60
POLB P06746 1/20 0.52
KMT2A Q03164 5/20 0.52
TSHR P16473 4/20 0.52
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 3/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
BAP1 Q92560 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
PRKAA2 P54646 1/20 0.44
EPHX2 P34913 1/20 0.44

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
SCHEMBL4072296 0.93 GAA (0.62) GAAKDM4EPOLBKMT2ATSHR
SCHEMBL3289029 0.92 KDM4E (0.55) GAAKDM4EPOLBKMT2ATSHR
SCHEMBL13329150 0.90 GAA (0.50) GAAKDM4EPOLBKMT2ATSHR
SCHEMBL3290350 0.90 KDM4E (0.50) GAAKDM4EKMT2ATSHRALDH1A1
SCHEMBL3289944 0.90 GAA (0.59) GAAKDM4EPOLBKMT2ATSHR
SCHEMBL3292142 0.89 MTTP (0.52) GAAKDM4EKMT2AALDH1A1MAPT
SCHEMBL3290273 0.85 KDM4E (0.48) GAAKDM4EPOLBKMT2ATSHR
SCHEMBL3288805 0.85 NPC1 (0.52) GAAKDM4EPOLBKMT2ATSHR
SCHEMBL3297214 0.83 TP53 (0.47) GAAKDM4EMAPTTP53EPHX2
SCHEMBL3291455 0.83 NTRK1 (0.49) GAAKDM4EPOLBKMT2ATSHR

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
US-20070254919-A1 Aroyl-O-Piperidine Derivatives for the Treatment of Diabetes-Related Problems MERCK PATENT GMBH (DE) 2007-11-01 US claimed
US-7723358-B2 Aroyl-O-piperidine derivatives for the treatment of diabetes-related problems MERCK PATENT GMBH (DE) 2010-05-25 US disclosed
US-7723358-B2 Aroyl-O-piperidine derivatives for the treatment of diabetes-related problems MERCK PATENT GMBH (DE) 2010-05-25 US disclosed
US-7723358-B2 Aroyl-O-piperidine derivatives for the treatment of diabetes-related problems MERCK PATENT GMBH (DE) 2010-05-25 US disclosed
EP-1753721-B1 AROYL-O-PIPERIDINE DERIVATIVES FOR THE TREATMENT OF DIABETES-RELATED PROBLEMS MERCK PATENT GMBH (DE) 2009-08-05 EP disclosed
US-20070254919-A1 Aroyl-O-Piperidine Derivatives for the Treatment of Diabetes-Related Problems MERCK PATENT GMBH (DE) 2007-11-01 US disclosed
US-20070254919-A1 Aroyl-O-Piperidine Derivatives for the Treatment of Diabetes-Related Problems MERCK PATENT GMBH (DE) 2007-11-01 US disclosed
US-20070254919-A1 Aroyl-O-Piperidine Derivatives for the Treatment of Diabetes-Related Problems MERCK PATENT GMBH (DE) 2007-11-01 US 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-20070254919-A1 Aroyl-O-Piperidine Derivatives for the Treatment of Diabetes-Related Problems GPR119, FABP4, LIPC GAA 777/4885KDM4E 1459/4885POLB 1863/4885

“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.