SCHEMBL117231

SCHEMBL117231

CC(C)(C)OC(=O)N1CCC(N2CCC(N)C2)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
RECQL P46063 1/20 0.46
EPHX1 P07099 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR119 Q8TDV5 4/20 0.43
CHRM1 P11229 1/20 0.43
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
DPP4 P27487 1/20 0.42
EPHX2 P34913 1/20 0.41
CTSD P07339 1/20 0.41
CTSE P14091 1/20 0.41
BACE1 P56817 1/20 0.41

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
SCHEMBL29307381 0.92 HPGD (0.49) HPGDRECQLEPHX1KDM4EMAPT
SCHEMBL4161964 0.91 HPGD (0.50) HPGDRECQLEPHX1KDM4EMAPT
SCHEMBL1675672 0.91 HPGD (0.50) HPGDRECQLEPHX1KDM4EMAPT
SCHEMBL13243425 0.85 HPGD (0.44) HPGDRECQLEPHX1KDM4EMAPT
SCHEMBL322172 0.84 HPGD (0.51) HPGDRECQLEPHX1KDM4EMAPT
SCHEMBL241779 0.84 HPGD (0.51) HPGDRECQLEPHX1KDM4EMAPT
SCHEMBL8785 0.84 HPGD (0.51) HPGDRECQLEPHX1KDM4EMAPT
SCHEMBL8018 0.84 HPGD (0.58) HPGDRECQLEPHX1KDM4EMAPT
SCHEMBL10178038 0.84 CHRM1 (0.58) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL10177897 0.84 CHRM1 (0.58) HPGDRECQLEPHX1USP2SMN1; SMN2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2623101-B1 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2021-04-21 EP disclosed
US-9452997-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2016-09-27 US disclosed
US-9452997-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2016-09-27 US disclosed
US-20140343075-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2014-11-20 US disclosed
US-20140343075-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2014-11-20 US disclosed
US-8822476-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2014-09-02 US disclosed
US-8822476-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2014-09-02 US disclosed
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-08 US disclosed
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-08 US disclosed
WO-2010115491-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2010-10-14 WO 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-20140343075-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E HPGD 1733/4885RECQL 1836/4885EPHX1 825/4885
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E HPGD 1733/4885RECQL 1836/4885EPHX1 825/4885

“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.