SCHEMBL610125

SCHEMBL610125

CC1(C(=O)NC2CCCCC2)CCCN(S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.61
EPHX2 P34913 4/20 0.57
HTT P42858 1/20 0.49
KMT2A Q03164 2/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 1/20 0.48
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HSD11B1 P28845 2/20 0.46

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
SCHEMBL4005231 0.84 ALDH1A1 (0.58) ALDH1A1EPHX2HTTKMT2AMAPK1
SCHEMBL4005226 0.84 ALDH1A1 (0.58) ALDH1A1EPHX2HTTKMT2AMAPK1
SCHEMBL612745 0.74 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1CYP3A4CYP1A2
SCHEMBL19392431 0.73 TSHR (0.44) ALDH1A1HTTKMT2AMEN1CYP3A4
SCHEMBL612761 0.73 EPHX2 (0.77) ALDH1A1EPHX2KMT2AMEN1TSHR
SCHEMBL609708 0.73 EPHX2 (0.77) ALDH1A1EPHX2KMT2AMEN1TSHR
SCHEMBL7439896 0.72 ALDH1A1 (0.63) ALDH1A1EPHX2KMT2AMEN1CYP2D6
SCHEMBL612912 0.72 KMT2A (0.78) ALDH1A1EPHX2KMT2AMEN1TSHR
SCHEMBL611344 0.72 KMT2A (0.78) ALDH1A1EPHX2KMT2AMEN1TSHR
SCHEMBL4005679 0.70 EPHX2 (0.76) ALDH1A1EPHX2KMT2AMEN1TSHR

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 19 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
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-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 ALDH1A1 57/4885EPHX2 1175/4885HTT 4041/4885
US-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals HSD11B1, HSD3B1, HSD11B2 ALDH1A1 76/4885EPHX2 1552/4885HTT 2630/4885

“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.