SCHEMBL13128802

SCHEMBL13128802

O=C(c1ccccn1)N1CCC(OC2CCNCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ RBP4 P02753 1/20 0.57
▸ CHRNB2 P17787 1/20 0.53
▸ CHRNB4 P30926 1/20 0.53
▸ CHRNA3 P32297 1/20 0.53
▸ CHRNA7 P36544 1/20 0.53
▸ CHRNA4 P43681 1/20 0.53
▸ EPHX2 P34913 3/20 0.53
▸ EPHX1 P07099 2/20 0.47
▸ RIPK1 Q13546 1/20 0.47
▸ KDM5A P29375 2/20 0.45
▸ NAMPT P43490 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ PDE4B Q07343 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.43
▸ HTT P42858 1/20 0.42

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
SCHEMBL12236475 0.83 RBP4 (0.56) L3MBTL1RBP4CHRNB2CHRNB4CHRNA3
SCHEMBL1088258 0.82 L3MBTL1 (0.77) L3MBTL1RBP4CHRNB2CHRNB4CHRNA3
SCHEMBL13128801 0.81 RBP4 (0.61) L3MBTL1RBP4EPHX2
SCHEMBL28928977 0.79 L3MBTL1 (0.63) L3MBTL1RBP4CHRNB2CHRNB4CHRNA3
SCHEMBL13128807 0.79 GAA (0.49) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL22972208 0.78 L3MBTL1 (0.75) L3MBTL1RBP4CHRNB2CHRNB4CHRNA3
SCHEMBL2224365 0.77 L3MBTL1 (0.69) L3MBTL1RBP4CHRNB2CHRNB4CHRNA3
SCHEMBL7943306 0.77 L3MBTL1 (1.00) L3MBTL1RBP4CHRNB2CHRNB4CHRNA3
SCHEMBL23407905 0.76 CES2 (0.46) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL13744784 0.76 L3MBTL1 (0.73) L3MBTL1RBP4CHRNB2CHRNB4CHRNA3

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 L3MBTL1 2612/4885RBP4 640/4885CHRNB2 926/4885

“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.

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