SCHEMBL13128807

SCHEMBL13128807

O=C(c1ccncc1)N1CCC(OC2CCNCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ L3MBTL3 Q96JM7 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ CHRNB2 P17787 2/20 0.49
▸ CHRNB4 P30926 2/20 0.49
▸ CHRNA3 P32297 2/20 0.49
▸ CHRNA4 P43681 2/20 0.49
▸ CHRNA7 P36544 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ MKNK1 Q9BUB5 1/20 0.45
▸ MKNK2 Q9HBH9 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ EPHX2 P34913 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
SCHEMBL13128811 0.82 TLR9 (0.44) L3MBTL3L3MBTL1
SCHEMBL13128814 0.81 POLB (0.42) GAAKDM4EL3MBTL1POLBMKNK1
SCHEMBL5273 0.80 SIGMAR1 (0.70) GAACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13128802 0.79 L3MBTL1 (0.60) GAAL3MBTL1CHRNB2CHRNB4CHRNA3
SCHEMBL13128806 0.79 GPR119 (0.56) —
Hydrochloric Acid SCHEMBL1597605 0.78 SIGMAR1 (0.68) GAACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL22119220 0.75 KDM4E (0.59) GAAKDM4EPOLBCHRNB2CHRNB4
SCHEMBL23094515 0.74 KDM4E (0.55) GAAKDM4EPOLBCHRNB2CHRNB4
SCHEMBL13744553 0.73 ACHE (0.72) GAAKDM4EL3MBTL3POLBRECQL
SCHEMBL4703329 0.73 KDM4E (0.61) GAAKDM4EL3MBTL3L3MBTL1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249098-A1 OXYPIPERIDINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-09-30 — — US disclosed
US-20100249098-A1 OXYPIPERIDINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-09-30 — — US disclosed
WO-2009045313-A2 OXYPIPERIDINE DERIVATIVES AS HISTAMINE RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2009-04-09 — — WO 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-20100249098-A1 OXYPIPERIDINE DERIVATIVES AND METHODS OF USE THEREOF OPRK1, GPR119, OPRD1 GAA 447/4885KDM4E 1134/4885L3MBTL3 2830/4885

“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