SCHEMBL3290805

SCHEMBL3290805

COC(=O)N1CCC(Oc2cccc(NC(=O)c3cc(OC(F)(F)F)ccc3-c3ccccc3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
P2RX1 P51575 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PRKAA2 P54646 1/20 0.44
SCN9A Q15858 1/20 0.43
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
SCN8A Q9UQD0 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
CFD P00746 1/20 0.41
KLK7 P49862 1/20 0.41
EPHX2 P34913 1/20 0.41
TOP2A P11388 1/20 0.41
DHODH Q02127 1/20 0.41
ABL1 P00519 1/20 0.41
BRAF P15056 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
SCHEMBL3288593 0.93 SMN1; SMN2 (0.44) KDM4EGAAP2RX1PRKAA2SCN9A
SCHEMBL3295277 0.92 P2RX1 (0.47) KDM4EGAAP2RX1NPC1RAB9A
SCHEMBL3290350 0.91 KDM4E (0.50) KDM4EGAAP2RX1NPC1RAB9A
SCHEMBL3289944 0.91 GAA (0.59) KDM4EGAANPC1RAB9AEPHX2
SCHEMBL5144167 0.89 KDM4E (0.48) KDM4EGAASCN10AEPHX2
SCHEMBL3313226 0.87 PRKAA2 (0.46) KDM4EGAANPC1RAB9APRKAA2
SCHEMBL3289514 0.87 GAA (0.47) KDM4EGAAPRKAA2
SCHEMBL3288961 0.85 KDM4E (0.54) KDM4EGAAEPHX2
SCHEMBL4081256 0.84 KDM4E (0.49) KDM4EGAAP2RX1NPC1RAB9A
SCHEMBL3297168 0.84 GPR119 (0.47) KDM4EGAAP2RX1NPC1RAB9A

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 2 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-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 KDM4E 1459/4885GAA 777/4885P2RX1 755/4885

“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.