SCHEMBL3289246

SCHEMBL3289246

COc1ccc(C(=O)N2CCC(Oc3cccc(NC(=O)c4cccc(C)c4-c4ccc(OC(F)(F)F)cc4)c3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
UBE2M P61081 1/20 0.49
DCUN1D1 Q96GG9 1/20 0.49
SMO Q99835 4/20 0.46
PRKAA2 P54646 3/20 0.45
MGLL Q99685 1/20 0.45
APOB P04114 6/20 0.44
MTTP P55157 6/20 0.44
CSF1R P07333 1/20 0.44
PDGFRB P09619 1/20 0.44
KIT P10721 1/20 0.44
DDR1 Q08345 1/20 0.44
MAPK7 Q13164 1/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
CFD P00746 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL3289866 0.95 PRKAA2 (0.46) NPC1RAB9AUBE2MDCUN1D1SMO
SCHEMBL3292606 0.94 CSF1R (0.46) NPC1RAB9ASMOPRKAA2APOB
SCHEMBL3289402 0.93 NPC1 (0.46) NPC1RAB9AUBE2MDCUN1D1PRKAA2
SCHEMBL3291768 0.91 NTRK1 (0.50) NPC1RAB9ASMOAPOBMTTP
SCHEMBL3289265 0.91 KCNK3 (0.49) NPC1RAB9ASMOPRKAA2APOB
SCHEMBL3295229 0.91 NPC1 (0.50) NPC1RAB9ASMOAPOBMTTP
SCHEMBL3292138 0.91 PRKAA2 (0.43) NPC1RAB9AUBE2MDCUN1D1PRKAA2
SCHEMBL3289470 0.90 APOB (0.54) NPC1RAB9ASMOPRKAA2APOB
SCHEMBL3288805 0.89 NPC1 (0.52) NPC1RAB9AUBE2MDCUN1D1SMO
SCHEMBL3288902 0.89 EPHX1 (0.46) NPC1RAB9ASMOPRKAA2APOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723358-B2 Aroyl-O-piperidine derivatives for the treatment of diabetes-related problems MERCK PATENT GMBH (DE) 2010-05-25 US claimed
EP-1753721-B1 AROYL-O-PIPERIDINE DERIVATIVES FOR THE TREATMENT OF DIABETES-RELATED PROBLEMS MERCK PATENT GMBH (DE) 2009-08-05 EP 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 NPC1 448/4885RAB9A 2118/4885UBE2M 4423/4885

“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.