SCHEMBL610753

SCHEMBL610753

O=C(N[C@H]1CC[C@H](O)CC1)[C@H]1CCCN(S(=O)(=O)c2cccc3ccccc23)C1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.67
HSD11B1 P28845 1/20 0.58
CNR1 P21554 7/20 0.54
TDP1 Q9NUW8 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.48

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
SCHEMBL610754 1.00 EPHX2 (0.67) EPHX2HSD11B1CNR1TDP1KMT2A
SCHEMBL4292847 0.86 EPHX2 (0.78) EPHX2HSD11B1CNR1KMT2AMEN1
SCHEMBL4292842 0.86 EPHX2 (0.78) EPHX2HSD11B1CNR1KMT2AMEN1
SCHEMBL610357 0.86 HSD11B1 (0.67) EPHX2HSD11B1TDP1KMT2AMEN1
SCHEMBL613383 0.86 HSD11B1 (0.67) EPHX2HSD11B1TDP1KMT2AMEN1
SCHEMBL610358 0.86 HSD11B1 (0.67) EPHX2HSD11B1TDP1KMT2AMEN1
SCHEMBL4961030 0.86 HSD11B1 (0.67) EPHX2HSD11B1TDP1KMT2AMEN1
SCHEMBL610256 0.85 EPHX2 (0.66) EPHX2HSD11B1TDP1KMT2AMEN1
SCHEMBL612161 0.85 EPHX2 (0.66) EPHX2HSD11B1TDP1KMT2AMEN1
SCHEMBL612150 0.85 EPHX2 (0.66) EPHX2HSD11B1TDP1KMT2AMEN1

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 16 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-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-20120040964-A1 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-02-16 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
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 EPHX2 1175/4885HSD11B1 1/4885CNR1 337/4885
US-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals HSD11B1, HSD3B1, HSD11B2 EPHX2 1552/4885HSD11B1 1/4885CNR1 397/4885

“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.