SCHEMBL613069

SCHEMBL613069

O=C(NC1CCCCC1)[C@H]1CCCN(c2ccccc2C(F)(F)F)C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
PIK3CD O00329 1/20 0.52
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
EPHX2 P34913 6/20 0.48
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
KMT2A Q03164 1/20 0.47
NOTUM Q6P988 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HSD11B1 P28845 1/20 0.44

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
SCHEMBL27665161 1.00 ALDH1A1 (0.53) ALDH1A1PIK3CDGAATSHRHSD17B10
SCHEMBL612539 0.85 EPHX2 (0.57) ALDH1A1GAATSHRHSD17B10EPHX2
SCHEMBL613012 0.82 TSHR (0.59) ALDH1A1GAATSHRHSD17B10EPHX2
SCHEMBL29957567 0.82 NOTUM (0.67) NOTUM
SCHEMBL28765386 0.80 ALDH1A1 (0.53) ALDH1A1GAATSHRHSD17B10EPHX2
SCHEMBL611579 0.79 ALDH1A1 (0.70) ALDH1A1GAATSHRHSD17B10EPHX2
SCHEMBL613140 0.79 ALDH1A1 (0.70) ALDH1A1GAATSHRHSD17B10EPHX2
SCHEMBL612874 0.79 HSD11B1 (0.65) ALDH1A1TSHREPHX2KMT2AHSD11B1
SCHEMBL27684550 0.79 EPHX2 (0.60) ALDH1A1PIK3CDGAATSHRHSD17B10
SCHEMBL613054 0.79 EPHX2 (0.60) ALDH1A1PIK3CDGAATSHRHSD17B10

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 12 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
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
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 57/4885PIK3CD 1144/4885GAA 951/4885
US-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals HSD11B1, HSD3B1, HSD11B2 ALDH1A1 76/4885PIK3CD 1248/4885GAA 518/4885

“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.