SCHEMBL613118

SCHEMBL613118

O=C(NC1CCC(O)CC1)[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2Cl)C1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.68
RAB9A P51151 2/20 0.55
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NPC1 O15118 1/20 0.52
ATM Q13315 1/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.49
EPHX2 P34913 1/20 0.49

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
SCHEMBL613117 1.00 HSD11B1 (0.68) HSD11B1RAB9ATSHRTDP1NPC1
SCHEMBL4960316 1.00 HSD11B1 (0.68) HSD11B1RAB9ATSHRTDP1NPC1
SCHEMBL4960310 1.00 HSD11B1 (0.68) HSD11B1RAB9ATSHRTDP1NPC1
SCHEMBL4961030 0.91 HSD11B1 (0.67) HSD11B1RAB9ATDP1NPC1ATM
SCHEMBL610358 0.91 HSD11B1 (0.67) HSD11B1RAB9ATDP1NPC1ATM
SCHEMBL610357 0.91 HSD11B1 (0.67) HSD11B1RAB9ATDP1NPC1ATM
SCHEMBL613383 0.91 HSD11B1 (0.67) HSD11B1RAB9ATDP1NPC1ATM
SCHEMBL612867 0.90 HSD11B1 (0.66) HSD11B1RAB9ATDP1NPC1ATM
SCHEMBL4961999 0.90 HSD11B1 (0.66) HSD11B1RAB9ATDP1NPC1ATM
SCHEMBL612866 0.90 HSD11B1 (0.66) HSD11B1RAB9ATDP1NPC1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288417-B2 N-substituted piperidines and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-10-16 US claimed
US-20120040964-A1 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-02-16 US 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
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 HSD11B1 1/4885RAB9A 2691/4885TSHR 1143/4885
US-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals HSD11B1, HSD3B1, HSD11B2 HSD11B1 1/4885RAB9A 2077/4885TSHR 1444/4885

“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.