SCHEMBL3295229

SCHEMBL3295229

COc1cccc(NC(=O)N2CCC(Oc3cccc(NC(=O)c4cccc(C)c4-c4ccc(OC(F)(F)F)cc4)c3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
NTRK1 P04629 2/20 0.48
NTRK3 Q16288 2/20 0.48
NTRK2 Q16620 2/20 0.48
KCNH2 Q12809 1/20 0.48
HTT P42858 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CHEK1 O14757 1/20 0.46
AURKA O14965 1/20 0.46
PRKD3 O94806 1/20 0.46
PAK4 O96013 1/20 0.46
FYN P06241 1/20 0.46
RET P07949 1/20 0.46
MET P08581 1/20 0.46
PDGFRB P09619 1/20 0.46

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
SCHEMBL3291768 0.97 NTRK1 (0.50) NPC1RAB9ANTRK1NTRK3NTRK2
SCHEMBL3288509 0.94 NTRK1 (0.50) NTRK1NTRK3NTRK2KCNH2EPHX2
SCHEMBL3345028 0.93 CFD (0.47) NPC1RAB9ANTRK1NTRK3NTRK2
SCHEMBL3293472 0.93 NTRK1 (0.51) NTRK1NTRK3NTRK2KCNH2EPHX2
SCHEMBL3289872 0.93 NTRK1 (0.51) NTRK1NTRK3NTRK2KCNH2EPHX2
SCHEMBL3289434 0.93 NTRK1 (0.46) NPC1RAB9ANTRK1NTRK3NTRK2
SCHEMBL3289543 0.93 NTRK1 (0.46) NPC1RAB9ANTRK1NTRK3NTRK2
SCHEMBL3288520 0.93 NTRK1 (0.49) NPC1RAB9ANTRK1NTRK3NTRK2
SCHEMBL13329048 0.92 APOB (0.47) NTRK1NTRK3NTRK2KCNH2LMNA
SCHEMBL3289825 0.92 NTRK1 (0.46) NPC1RAB9ANTRK1NTRK3NTRK2

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
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

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 2118/4885NTRK1 3143/4885

“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.