SCHEMBL612339

SCHEMBL612339

O=C(NC1CCC(O)CC1)[C@H]1CCCN(c2ccc(OCc3ccccc3)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.47
ADAM17 P78536 2/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ACACB O00763 1/20 0.46
ALDH1A1 P00352 1/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
USP30 Q70CQ3 1/20 0.43
TSHR P16473 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HTT P42858 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
SCHEMBL4962490 1.00 MMP1 (0.47) MMP1ADAM17NPC1RAB9AACACB
SCHEMBL10123439 1.00 MMP1 (0.47) MMP1ADAM17NPC1RAB9AACACB
SCHEMBL611097 0.90 KDM2B (0.48) ALDH1A1DRD2DRD3MAPK1KDM4E
SCHEMBL10123430 0.90 KDM2B (0.48) ALDH1A1DRD2DRD3MAPK1KDM4E
SCHEMBL4961302 0.90 KDM2B (0.48) ALDH1A1DRD2DRD3MAPK1KDM4E
SCHEMBL611098 0.90 KDM2B (0.48) ALDH1A1DRD2DRD3MAPK1KDM4E
SCHEMBL612333 0.85 ALDH1A1 (0.58) NPC1RAB9AALDH1A1DRD2DRD3
SCHEMBL612332 0.85 ALDH1A1 (0.58) NPC1RAB9AALDH1A1DRD2DRD3
SCHEMBL610299 0.83 ALDH1A1 (0.52) NPC1RAB9AALDH1A1DRD2DRD3
SCHEMBL4962420 0.83 ALDH1A1 (0.52) NPC1RAB9AALDH1A1DRD2DRD3

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 14 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
CN-1993128-A N-substituted piperidines and their use as pharmaceuticals INCYTE CORP (US) 2007-07-04 CN 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-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
EP-1758580-A4 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-16 EP disclosed
CN-1993128-A N-substituted piperidines and their use as pharmaceuticals INCYTE CORP (US) 2007-07-04 CN disclosed
EP-1758580-A2 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-03-07 EP disclosed
WO-2006012226-A2 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO 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 MMP1 580/4885ADAM17 2657/4885NPC1 361/4885
US-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals HSD11B1, HSD3B1, HSD11B2 MMP1 538/4885ADAM17 2498/4885NPC1 295/4885

“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.