SCHEMBL611097

SCHEMBL611097

O=C(N[C@H]1CC[C@H](O)CC1)[C@H]1CCCN(c2cccc(OCc3ccccc3)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.48
F10 P00742 3/20 0.47
ALDH1A1 P00352 1/20 0.46
BCL9 O00512 3/20 0.46
CTNNB1 P35222 3/20 0.46
PTPN1 P18031 1/20 0.44
EPHX2 P34913 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.44
SPHK2 Q9NRA0 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
SCHEMBL4961302 1.00 KDM2B (0.48) KDM2BF10ALDH1A1BCL9CTNNB1
SCHEMBL10123430 1.00 KDM2B (0.48) KDM2BF10ALDH1A1BCL9CTNNB1
SCHEMBL611098 1.00 KDM2B (0.48) KDM2BF10ALDH1A1BCL9CTNNB1
SCHEMBL10123439 0.90 MMP1 (0.47) ALDH1A1DRD2DRD3MAPK1KDM4E
SCHEMBL4962490 0.90 MMP1 (0.47) ALDH1A1DRD2DRD3MAPK1KDM4E
SCHEMBL612339 0.90 MMP1 (0.47) ALDH1A1DRD2DRD3MAPK1KDM4E
SCHEMBL3890380 0.84 KDM2B (0.56) KDM2BF10SPHK1KDM4ESPHK2
SCHEMBL612333 0.84 ALDH1A1 (0.58) ALDH1A1EPHX2DRD2DRD3MAPK1
SCHEMBL612332 0.84 ALDH1A1 (0.58) ALDH1A1EPHX2DRD2DRD3MAPK1
SCHEMBL3897193 0.79 L3MBTL1 (0.63) KDM2BALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071624-B2 N-substituted piperidines and their use as pharmaceuticals INCYTE CORPORATION (US) 2011-12-06 US claimed
EP-1758580-A4 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-16 EP claimed
EP-1758580-A2 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-03-07 EP claimed
WO-2006012226-A2 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO claimed
US-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals INCYTE CORPORATION 2006-01-05 US claimed
US-8288417-B2 N-substituted piperidines and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-10-16 US disclosed
US-8288417-B2 N-substituted piperidines and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-10-16 US disclosed
US-8288417-B2 N-substituted piperidines and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-10-16 US disclosed
US-20120040964-A1 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-02-16 US disclosed
US-8071624-B2 N-substituted piperidines and their use as pharmaceuticals INCYTE CORPORATION (US) 2011-12-06 US disclosed
US-8071624-B2 N-substituted piperidines and their use as pharmaceuticals INCYTE CORPORATION (US) 2011-12-06 US disclosed
US-8071624-B2 N-substituted piperidines and their use as pharmaceuticals INCYTE CORPORATION (US) 2011-12-06 US disclosed
US-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals INCYTE CORPORATION 2006-01-05 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 (2 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-20120040964-A1 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS HSD11B1, CYP11B1, HSD3B1 KDM2B 3152/4885F10 4686/4885ALDH1A1 57/4885
US-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals HSD11B1, HSD3B1, HSD11B2 KDM2B 3802/4885F10 4739/4885ALDH1A1 76/4885

“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.