SCHEMBL3291006

SCHEMBL3291006

O=C(Nc1cccc(OC2CCNCC2)c1)c1ccccc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ P2RX1 P51575 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMO Q99835 2/20 0.46
▸ PGR P06401 1/20 0.46
▸ GPR183 P32249 1/20 0.46
▸ F10 P00742 2/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ DYRK1A Q13627 1/20 0.45
▸ BRD4 O60885 1/20 0.45
▸ CREBBP Q92793 1/20 0.45
▸ EPHX2 P34913 1/20 0.44
▸ BRAF P15056 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ EPHX1 P07099 1/20 0.44
▸ KCNK3 O14649 1/20 0.44
▸ KCNK9 Q9NPC2 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
SCHEMBL3288798 0.90 F10 (0.53) KCNH2KDM4EGAAF10GSK3B
SCHEMBL3289033 0.86 NPC1 (0.46) KCNH2P2RX1NPC1RAB9ASMO
SCHEMBL4081256 0.86 KDM4E (0.49) KDM4EGAAP2RX1NPC1RAB9A
SCHEMBL3290021 0.86 KDM4E (0.48) KCNH2KDM4EGAAP2RX1NPC1
SCHEMBL3289536 0.85 HRH3 (0.49) KDM4EGAAP2RX1NPC1RAB9A
SCHEMBL3290350 0.85 KDM4E (0.50) KCNH2KDM4EGAAP2RX1NPC1
SCHEMBL3291818 0.85 GAA (0.48) KCNH2KDM4EGAAP2RX1NPC1
SCHEMBL3297167 0.84 KDM4E (0.47) KDM4EGAAP2RX1NPC1RAB9A
SCHEMBL3288699 0.84 HRH3 (0.48) KDM4EGAAP2RX1NPC1RAB9A
SCHEMBL13329154 0.84 KDM4E (0.53) KCNH2KDM4EGAAF10GSK3B

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 KCNH2 590/4885KDM4E 1459/4885GAA 777/4885

“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.

Send feedback