SCHEMBL3289265

SCHEMBL3289265

COc1ccccc1C(=O)N1CCC(Oc2cccc(NC(=O)c3cccc(C)c3-c3ccc(OC(F)(F)F)cc3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.49
KCNK9 Q9NPC2 3/20 0.49
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
APOB P04114 6/20 0.44
MTTP P55157 6/20 0.44
SMO Q99835 5/20 0.43
PRKAA2 P54646 1/20 0.42
NTRK1 P04629 1/20 0.42
KCNH2 Q12809 1/20 0.42
NTRK3 Q16288 1/20 0.42
NTRK2 Q16620 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL3289402 0.91 NPC1 (0.46) KCNK3KCNK9NPC1RAB9AKMT2A
SCHEMBL3289246 0.91 NPC1 (0.51) NPC1RAB9AAPOBMTTPSMO
SCHEMBL3292606 0.91 CSF1R (0.46) KCNK3KCNK9NPC1RAB9AAPOB
SCHEMBL3289866 0.90 PRKAA2 (0.46) NPC1RAB9AAPOBMTTPSMO
SCHEMBL3291473 0.90 KCNK3 (0.51) KCNK3KCNK9NPC1RAB9AKMT2A
SCHEMBL3289470 0.90 APOB (0.54) KCNK3KCNK9NPC1RAB9AAPOB
SCHEMBL3295229 0.89 NPC1 (0.50) NPC1RAB9AAPOBMTTPSMO
SCHEMBL3288874 0.89 APOB (0.45) NPC1RAB9AAPOBMTTPSMO
SCHEMBL3288902 0.89 EPHX1 (0.46) NPC1RAB9AAPOBMTTPSMO
SCHEMBL3289783 0.89 SMO (0.46) NPC1RAB9AAPOBMTTPSMO

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 KCNK3 1457/4885KCNK9 1600/4885NPC1 448/4885

“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.