SCHEMBL3289872

SCHEMBL3289872

Cc1cccc(C(=O)Nc2cccc(OC3CCN(C(=O)Nc4ccc(F)cc4)CC3)c2)c1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.51
KCNH2 Q12809 1/20 0.51
NTRK3 Q16288 1/20 0.51
NTRK2 Q16620 1/20 0.51
EPHX2 P34913 5/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.47
APOB P04114 4/20 0.46
MTTP P55157 4/20 0.46
KIT P10721 1/20 0.45
PRKAA2 P54646 1/20 0.43

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
SCHEMBL3293472 0.95 NTRK1 (0.51) NTRK1KCNH2NTRK3NTRK2EPHX2
SCHEMBL3288509 0.95 NTRK1 (0.50) NTRK1KCNH2NTRK3NTRK2EPHX2
SCHEMBL3291768 0.95 NTRK1 (0.50) NTRK1KCNH2NTRK3NTRK2EPHX2
SCHEMBL3288520 0.93 NTRK1 (0.49) NTRK1KCNH2NTRK3NTRK2EPHX2
SCHEMBL4074904 0.93 EPHX2 (0.49) NTRK1KCNH2NTRK3NTRK2EPHX2
SCHEMBL3295229 0.93 NPC1 (0.50) NTRK1KCNH2NTRK3NTRK2EPHX2
SCHEMBL3290024 0.93 NTRK1 (0.48) NTRK1KCNH2NTRK3NTRK2EPHX2
SCHEMBL3290110 0.93 NTRK1 (0.48) NTRK1KCNH2NTRK3NTRK2EPHX2
SCHEMBL13329048 0.92 APOB (0.47) NTRK1KCNH2NTRK3NTRK2EPHX2
SCHEMBL3292493 0.91 POLB (0.51) NTRK1KCNH2NTRK3NTRK2EPHX2

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 NTRK1 3143/4885KCNH2 590/4885NTRK3 2510/4885

“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.