SCHEMBL147110

SCHEMBL147110

O=C(OC(c1ccc(Cl)cc1)c1c[nH]nn1)N1CCN(C2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.37
HRH3 Q9Y5N1 7/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
HRH1 P35367 1/20 0.36
CCR3 P51677 1/20 0.36
KCNH2 Q12809 1/20 0.36
CNR1 P21554 2/20 0.36
CHRM1 P11229 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
L3MBTL3 Q96JM7 2/20 0.35
ATXN2 Q99700 1/20 0.35
LRRK2 Q5S007 1/20 0.35
EPHX2 P34913 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL15152927 0.89 LMNA (0.39) ENPP2HRH3SLC6A4SLC6A2SLC6A3
SCHEMBL118301 0.80 ENPP2 (0.53) ENPP2CCR3ATXN2
SCHEMBL118456 0.78 ACACB (0.41) ENPP2ACACBACACAL3MBTL1L3MBTL3
SCHEMBL118206 0.77 SLC6A4 (0.43) ENPP2HRH3SLC6A4SLC6A2SLC6A3
SCHEMBL118734 0.77 ENPP2 (0.61) ENPP2KCNH2ATXN2
SCHEMBL118415 0.77 ENPP2 (0.61) ENPP2KCNH2ATXN2
SCHEMBL117492 0.76 ENPP2 (0.47) ENPP2L3MBTL1ATXN2
SCHEMBL117424 0.76 ENPP2 (0.47) ENPP2L3MBTL1ATXN2
SCHEMBL117444 0.76 ENPP2 (0.55) ENPP2HRH3SLC6A4SLC6A2SLC6A3
SCHEMBL14889527 0.76 L3MBTL3 (0.49) ACACBACACAL3MBTL1L3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414330-B1 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2013-05-01 EP claimed
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-8822476-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2014-09-02 US disclosed
EP-2626072-A1 Piperidine and piperazine derivatives as autotaxin inhibitors Merck Patent GmbH (DE) 2013-08-14 EP disclosed
EP-2623101-A1 Piperidine and piperazine derivatives as autotaxin inhibitors Merck Patent GmbH (DE) 2013-08-07 EP disclosed
EP-2623491-A2 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

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 ENPP2 1/4885HRH3 972/4885SLC6A4 4296/4885
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E ENPP2 1/4885HRH3 972/4885SLC6A4 4296/4885

“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.