SCHEMBL13329048

SCHEMBL13329048

Cc1cccc(C(=O)Nc2cccc(OC3CCN(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)c2)c1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APOB P04114 7/20 0.47
MTTP P55157 7/20 0.47
NTRK1 P04629 1/20 0.47
KCNH2 Q12809 1/20 0.47
NTRK3 Q16288 1/20 0.47
NTRK2 Q16620 1/20 0.47
SMO Q99835 5/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
EPHX2 P34913 3/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 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

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
SCHEMBL3288509 0.93 NTRK1 (0.50) APOBMTTPNTRK1KCNH2NTRK3
SCHEMBL3295229 0.92 NPC1 (0.50) APOBMTTPNTRK1KCNH2NTRK3
SCHEMBL3293472 0.92 NTRK1 (0.51) APOBMTTPNTRK1KCNH2NTRK3
SCHEMBL3289872 0.92 NTRK1 (0.51) APOBMTTPNTRK1KCNH2NTRK3
SCHEMBL3291768 0.91 NTRK1 (0.50) APOBMTTPNTRK1KCNH2NTRK3
SCHEMBL3345028 0.90 CFD (0.47) APOBMTTPNTRK1KCNH2NTRK3
SCHEMBL3289825 0.90 NTRK1 (0.46) APOBMTTPNTRK1KCNH2NTRK3
SCHEMBL3288520 0.90 NTRK1 (0.49) APOBMTTPNTRK1KCNH2NTRK3
SCHEMBL4074904 0.90 EPHX2 (0.49) APOBMTTPNTRK1KCNH2NTRK3
SCHEMBL3289543 0.90 NTRK1 (0.46) APOBMTTPNTRK1KCNH2NTRK3

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 4 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-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 APOB 23/4885MTTP 202/4885NTRK1 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.