SCHEMBL118595

SCHEMBL118595

CC(C)(C)OC(=O)N1CCN(C2CCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
TP53 P04637 3/20 0.55
MEN1 O00255 3/20 0.54
ALPL P05186 1/20 0.53
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
CYP2C19 P33261 1/20 0.52
THRB P10828 1/20 0.52
TSHR P16473 2/20 0.52
NUDT15 Q9NV35 1/20 0.50
ENPP2 Q13822 3/20 0.48
ATXN2 Q99700 3/20 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
SCHEMBL118364 0.78 ENPP2 (0.64) KMT2AMEN1MAPTLMNACYP2C19
SCHEMBL22725092 0.75 KDM4E (0.51) MAPTTHRBENPP2
SCHEMBL31110455 0.75 KDM4E (0.51) MAPTTHRBENPP2
SCHEMBL24794177 0.74 ALDH1A1 (0.50) MAPTLMNA
SCHEMBL12341269 0.74 ALDH1A1 (0.72) KMT2AMEN1LMNA
SCHEMBL31333413 0.72 ENPP2 (0.47) ENPP2
SCHEMBL24793552 0.71 PDE4B (0.50) MAPTTHRBENPP2
SCHEMBL31333625 0.70 PDE3B (0.39) KMT2ATP53ENPP2
SCHEMBL31334685 0.70 TGFBR1 (0.46) ENPP2
SCHEMBL24792914 0.70 CREBBP (0.41) ATXN2

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
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
EP-2623101-A1 Piperidine and piperazine derivatives as autotaxin inhibitors Merck Patent GmbH (DE) 2013-08-07 EP disclosed
EP-2414330-B1 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2013-05-01 EP 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

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 KMT2A 940/4885TP53 2063/4885MEN1 1559/4885
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E KMT2A 940/4885TP53 2063/4885MEN1 1559/4885

“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.