SCHEMBL609181

SCHEMBL609181

O=C(NC1CCC(O)CC1)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.72
KDM4E B2RXH2 1/20 0.72
POLB P06746 1/20 0.66
HSD11B1 P28845 1/20 0.61
RAB9A P51151 2/20 0.59
TSHR P16473 2/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ADRB2 P07550 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
NPC1 O15118 1/20 0.54
ATM Q13315 1/20 0.54
KMT2A Q03164 4/20 0.53
ALOX15 P16050 1/20 0.52
MEN1 O00255 2/20 0.52
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52

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
SCHEMBL609180 1.00 ALDH1A1 (0.72) ALDH1A1KDM4EPOLBHSD11B1RAB9A
SCHEMBL4961306 1.00 ALDH1A1 (0.72) ALDH1A1KDM4EPOLBHSD11B1RAB9A
SCHEMBL610672 0.91 KDM4E (0.59) ALDH1A1KDM4EPOLBHSD11B1RAB9A
SCHEMBL610671 0.91 KDM4E (0.59) ALDH1A1KDM4EPOLBHSD11B1RAB9A
SCHEMBL4962521 0.90 ALDH1A1 (0.64) ALDH1A1KDM4EPOLBHSD11B1RAB9A
SCHEMBL610217 0.90 ALDH1A1 (0.64) ALDH1A1KDM4EPOLBHSD11B1RAB9A
SCHEMBL610357 0.88 HSD11B1 (0.67) ALDH1A1KDM4EPOLBHSD11B1RAB9A
SCHEMBL610358 0.88 HSD11B1 (0.67) ALDH1A1KDM4EPOLBHSD11B1RAB9A
SCHEMBL613383 0.88 HSD11B1 (0.67) ALDH1A1KDM4EPOLBHSD11B1RAB9A
SCHEMBL4961030 0.88 HSD11B1 (0.67) ALDH1A1KDM4EPOLBHSD11B1RAB9A

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 7 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
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 57/4885KDM4E 2699/4885POLB 1184/4885
US-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals HSD11B1, HSD3B1, HSD11B2 ALDH1A1 76/4885KDM4E 3439/4885POLB 1100/4885

“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.