SCHEMBL3289033

SCHEMBL3289033

Cc1cccc(C(=O)Nc2cccc(OC3CCNCC3)c2)c1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
APOB P04114 9/20 0.46
MTTP P55157 9/20 0.46
SMO Q99835 5/20 0.46
KCNH2 Q12809 1/20 0.45
BRD4 O60885 1/20 0.45
CREBBP Q92793 1/20 0.45
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
EPHX2 P34913 1/20 0.43
P2RX1 P51575 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
SCHEMBL3288697 0.90 SMO (0.56) APOBMTTPSMO
SCHEMBL3289783 0.87 SMO (0.46) NPC1RAB9AAPOBMTTPSMO
SCHEMBL3288874 0.87 APOB (0.45) NPC1RAB9AAPOBMTTPSMO
SCHEMBL3288902 0.87 EPHX1 (0.46) NPC1RAB9AAPOBMTTPSMO
SCHEMBL5248683 0.87 KCNH2 (0.44) NPC1RAB9ASMOKCNH2BRD4
SCHEMBL3291006 0.86 KCNH2 (0.49) NPC1RAB9ASMOKCNH2BRD4
SCHEMBL3289470 0.86 APOB (0.54) NPC1RAB9AAPOBMTTPSMO
SCHEMBL3290031 0.86 APOB (0.45) NPC1RAB9AAPOBMTTPSMO
SCHEMBL3289658 0.86 APOB (0.45) NPC1RAB9AAPOBMTTPSMO
SCHEMBL3289661 0.86 SMO (0.44) 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 7 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
EP-1753721-B1 AROYL-O-PIPERIDINE DERIVATIVES FOR THE TREATMENT OF DIABETES-RELATED PROBLEMS MERCK PATENT GMBH (DE) 2009-08-05 EP 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 2118/4885APOB 23/4885

“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.