SCHEMBL613012

SCHEMBL613012

Cc1ccccc1N1CCC[C@H](C(=O)NC2CCCCC2)C1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
GAA P10253 1/20 0.59
HSD17B10 Q99714 1/20 0.59
EPHX2 P34913 3/20 0.57
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 1/20 0.56
RAB9A P51151 4/20 0.53
HSD11B1 P28845 1/20 0.52
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL612539 0.85 EPHX2 (0.57) TSHRGAAHSD17B10EPHX2ALDH1A1
SCHEMBL612950 0.84 GAA (0.60) TSHRGAAHSD17B10EPHX2ALDH1A1
SCHEMBL27665161 0.82 ALDH1A1 (0.53) TSHRGAAHSD17B10EPHX2ALDH1A1
SCHEMBL613069 0.82 ALDH1A1 (0.53) TSHRGAAHSD17B10EPHX2ALDH1A1
SCHEMBL28765386 0.82 ALDH1A1 (0.53) TSHRGAAHSD17B10EPHX2ALDH1A1
SCHEMBL613140 0.82 ALDH1A1 (0.70) TSHRGAAHSD17B10EPHX2ALDH1A1
SCHEMBL611579 0.82 ALDH1A1 (0.70) TSHRGAAHSD17B10EPHX2ALDH1A1
SCHEMBL4963043 0.81 TSHR (0.57) TSHRGAAHSD17B10EPHX2ALDH1A1
SCHEMBL612909 0.81 TSHR (0.57) TSHRGAAHSD17B10EPHX2ALDH1A1
SCHEMBL3436333 0.80 NOTUM (0.60) TSHRHSD17B10ALDH1A1KMT2AMAPT

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 TSHR 1143/4885GAA 951/4885HSD17B10 49/4885
US-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals HSD11B1, HSD3B1, HSD11B2 TSHR 1444/4885GAA 518/4885HSD17B10 41/4885

“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.