SCHEMBL118166

SCHEMBL118166

Cc1c(Br)cc(CCC(=O)N2CCN(C3CCN(C(=O)c4ccc5[nH]nnc5c4)CC3)CC2)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 10/20 0.41
L3MBTL1 Q9Y468 8/20 0.41
MBTD1 Q05BQ5 3/20 0.41
ENPP2 Q13822 2/20 0.39
ATXN2 Q99700 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR183 P32249 1/20 0.38
L3MBTL4 Q8NA19 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ACACB O00763 2/20 0.37
ACACA Q13085 2/20 0.37
MAPK10 P53779 1/20 0.36
TP53BP1 Q12888 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL118126 0.89 ACACB (0.39) L3MBTL3L3MBTL1MBTD1ENPP2ATXN2
SCHEMBL118338 0.87 ENPP2 (0.52) L3MBTL3L3MBTL1ENPP2ATXN2HRH3
SCHEMBL117568 0.86 ENPP2 (0.47) L3MBTL3L3MBTL1MBTD1ENPP2ATXN2
SCHEMBL118118 0.85 CCR3 (0.42) L3MBTL3L3MBTL1ENPP2ATXN2HRH3
SCHEMBL118377 0.85 FKBP1A (0.44) L3MBTL3L3MBTL1ENPP2ATXN2ALDH1A1
SCHEMBL118798 0.85 CCR3 (0.42) L3MBTL3L3MBTL1ENPP2ATXN2HRH3
SCHEMBL118093 0.84 KMT2A (0.42) L3MBTL3L3MBTL1MBTD1ENPP2ATXN2
SCHEMBL118903 0.83 L3MBTL1 (0.43) L3MBTL3L3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL117412 0.83 HRH3 (0.43) L3MBTL3ENPP2ATXN2ALDH1A1TSHR
SCHEMBL118504 0.83 SLC6A4 (0.41) L3MBTL3L3MBTL1ALDH1A1TSHRKMT2A

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 17 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-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-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-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
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 L3MBTL3 4326/4885L3MBTL1 3509/4885MBTD1 3072/4885
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E L3MBTL3 4326/4885L3MBTL1 3509/4885MBTD1 3072/4885

“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.