SCHEMBL3288805

SCHEMBL3288805

COc1ccc(C(=O)N2CCC(Oc3cccc(NC(=O)c4ccccc4-c4ccc(OC(F)(F)F)cc4)c3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KDM4E B2RXH2 3/20 0.51
GAA P10253 3/20 0.51
UBE2M P61081 1/20 0.50
DCUN1D1 Q96GG9 1/20 0.50
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
TSHR P16473 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PRKAA2 P54646 3/20 0.46
MGLL Q99685 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.44
CCNC P24863 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
SCHEMBL3312196 0.94 PRKAA2 (0.46) NPC1RAB9AKDM4EGAAUBE2M
SCHEMBL3297167 0.94 KDM4E (0.47) NPC1RAB9AKDM4EGAAPRKAA2
SCHEMBL13329172 0.93 NPC1 (0.47) NPC1RAB9AKDM4EGAAUBE2M
SCHEMBL3291473 0.91 KCNK3 (0.51) NPC1RAB9AKDM4EGAAMEN1
SCHEMBL3290350 0.90 KDM4E (0.50) NPC1RAB9AKDM4EGAAMEN1
SCHEMBL3288782 0.89 RAB9A (0.46) NPC1RAB9AKDM4EGAAMEN1
SCHEMBL3289246 0.89 NPC1 (0.51) NPC1RAB9AKDM4EUBE2MDCUN1D1
SCHEMBL3290021 0.89 KDM4E (0.48) NPC1RAB9AKDM4EGAAPRKAA2
SCHEMBL3291455 0.89 NTRK1 (0.49) NPC1RAB9AKDM4EGAAMEN1
SCHEMBL3291818 0.88 GAA (0.48) NPC1RAB9AKDM4EGAASMN1; SMN2

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-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
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 2118/4885KDM4E 1459/4885

“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.