SCHEMBL612581

SCHEMBL612581

O=C(NC1CCCCC1)[C@H]1CCCN(c2ccc(Oc3ccccc3)cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
TSHR P16473 3/20 0.55
EPHX1 P07099 1/20 0.52
MAPK1 P28482 2/20 0.51
KDM4E B2RXH2 1/20 0.51
DRD2 P14416 1/20 0.51
DRD3 P35462 1/20 0.51
GAA P10253 1/20 0.50
HSD17B10 Q99714 1/20 0.50
EPHX2 P34913 2/20 0.49
USP30 Q70CQ3 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
PKM P14618 1/20 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
SCHEMBL613140 0.89 ALDH1A1 (0.70) ALDH1A1TSHRDRD2DRD3GAA
SCHEMBL611579 0.89 ALDH1A1 (0.70) ALDH1A1TSHRDRD2DRD3GAA
SCHEMBL610175 0.86 TSHR (0.67) ALDH1A1TSHRKDM4EGAAHSD17B10
SCHEMBL4006081 0.82 DRD2 (0.61) ALDH1A1TSHRDRD2DRD3EPHX2
SCHEMBL4006089 0.82 DRD2 (0.61) ALDH1A1TSHRDRD2DRD3EPHX2
SCHEMBL4007370 0.82 DRD2 (0.61) ALDH1A1TSHRDRD2DRD3EPHX2
SCHEMBL4148809 0.82 DRD2 (0.61) ALDH1A1TSHRDRD2DRD3EPHX2
SCHEMBL612644 0.81 TP53 (0.62) ALDH1A1TSHRGAAHSD17B10EPHX2
SCHEMBL612332 0.80 ALDH1A1 (0.58) ALDH1A1TSHRMAPK1DRD2DRD3
SCHEMBL612333 0.80 ALDH1A1 (0.58) ALDH1A1TSHRMAPK1DRD2DRD3

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-8071624-B2 N-substituted piperidines and their use as pharmaceuticals INCYTE CORPORATION (US) 2011-12-06 US claimed
CN-1993128-A N-substituted piperidines and their use as pharmaceuticals INCYTE CORP (US) 2007-07-04 CN 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
CN-1993128-A N-substituted piperidines and their use as pharmaceuticals INCYTE CORP (US) 2007-07-04 CN 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 57/4885TSHR 1143/4885EPHX1 387/4885
US-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals HSD11B1, HSD3B1, HSD11B2 ALDH1A1 76/4885TSHR 1444/4885EPHX1 511/4885

“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.