SCHEMBL611344

SCHEMBL611344

O=C(NC1CCCC1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.78
EPHX2 P34913 1/20 0.75
MEN1 O00255 1/20 0.73
TSHR P16473 1/20 0.71
ALDH1A1 P00352 3/20 0.67
TDP1 Q9NUW8 1/20 0.67
RAB9A P51151 1/20 0.67
LMNA P02545 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
HSD11B1 P28845 1/20 0.62
POLB P06746 1/20 0.61

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
SCHEMBL612912 1.00 KMT2A (0.78) KMT2AEPHX2MEN1TSHRALDH1A1
SCHEMBL609708 0.99 EPHX2 (0.77) KMT2AEPHX2MEN1TSHRALDH1A1
SCHEMBL612761 0.99 EPHX2 (0.77) KMT2AEPHX2MEN1TSHRALDH1A1
SCHEMBL5245326 0.93 KMT2A (0.75) KMT2AEPHX2MEN1TSHRALDH1A1
SCHEMBL5991712 0.93 TDP1 (0.68) KMT2AEPHX2MEN1TSHRALDH1A1
SCHEMBL4005679 0.93 EPHX2 (0.76) KMT2AEPHX2MEN1TSHRALDH1A1
SCHEMBL5991717 0.93 TDP1 (0.68) KMT2AEPHX2MEN1TSHRALDH1A1
SCHEMBL5243916 0.92 KMT2A (0.73) KMT2AEPHX2MEN1TSHRALDH1A1
SCHEMBL612184 0.91 TDP1 (0.67) KMT2AEPHX2MEN1TSHRALDH1A1
SCHEMBL610202 0.91 TDP1 (0.67) KMT2AEPHX2MEN1TSHRALDH1A1

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-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
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 KMT2A 2726/4885EPHX2 1175/4885MEN1 1779/4885
US-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals HSD11B1, HSD3B1, HSD11B2 KMT2A 3003/4885EPHX2 1552/4885MEN1 2435/4885

“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.