SCHEMBL612274

SCHEMBL612274

Cc1cccc(N2CCC[C@H](C(=O)NC3CCCCC3)C2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
GAA P10253 1/20 0.60
HSD17B10 Q99714 1/20 0.60
EPHX2 P34913 5/20 0.58
NOTUM Q6P988 1/20 0.57
ALDH1A1 P00352 1/20 0.57
GFER P55789 1/20 0.54
RAB9A P51151 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
USP2 O75604 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD11B1 P28845 1/20 0.53
NPC1 O15118 2/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 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
SCHEMBL612644 0.86 TP53 (0.62) TSHRGAAHSD17B10EPHX2ALDH1A1
SCHEMBL613140 0.85 ALDH1A1 (0.70) TSHRGAAHSD17B10EPHX2NOTUM
SCHEMBL611579 0.85 ALDH1A1 (0.70) TSHRGAAHSD17B10EPHX2NOTUM
SCHEMBL28761394 0.83 ALDH1A1 (0.54) TSHRGAAHSD17B10ALDH1A1HSD11B1
SCHEMBL27664831 0.83 NOTUM (0.60) TSHRGAAHSD17B10EPHX2NOTUM
SCHEMBL613135 0.83 NOTUM (0.60) TSHRGAAHSD17B10EPHX2NOTUM
SCHEMBL23752747 0.81 NOTUM (0.84) TSHRHSD17B10NOTUMALDH1A1MEN1
SCHEMBL23752745 0.81 NOTUM (0.84) TSHRHSD17B10NOTUMALDH1A1MEN1
SCHEMBL24977888 0.81 NOTUM (0.64) EPHX2NOTUMALDH1A1RAB9AMEN1
SCHEMBL30589094 0.81 NOTUM (0.62) TSHRHSD17B10NOTUMALDH1A1RAB9A

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.