SCHEMBL118044

SCHEMBL118044

O=C(Cc1ccc(Cl)cc1)N1CCC(C2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
KMT2A Q03164 2/20 0.44
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
MGLL Q99685 3/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HSD11B1 P28845 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GFER P55789 1/20 0.39
ATM Q13315 1/20 0.39
ENPP2 Q13822 1/20 0.39
ATXN2 Q99700 1/20 0.39
LSS P48449 1/20 0.39
GPR183 P32249 1/20 0.39

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
SCHEMBL117560 0.82 CCR3 (0.42) KMT2ALMNAENPP2
SCHEMBL119250 0.81 ENPP2 (0.57) ENPP2ATXN2
Hydrochloric Acid SCHEMBL17310843 0.80 L3MBTL3 (0.44) ALDH1A1HPGD
SCHEMBL16963621 0.79 GPR183 (0.48) KMT2ACCNCCDK8MAPTENPP2
SCHEMBL21323350 0.79 GPR183 (0.48) KMT2ACCNCCDK8MAPTENPP2
SCHEMBL16963617 0.79 GPR183 (0.48) KMT2ACCNCCDK8MAPTENPP2
SCHEMBL21323346 0.79 GPR183 (0.48) KMT2ACCNCCDK8MAPTENPP2
SCHEMBL118275 0.79 ENPP2 (0.45) MGLLHPGDHSD11B1ENPP2ATXN2
SCHEMBL358101 0.78 POLB (0.50) KMT2AMGLLALDH1A1LMNAHPGD
SCHEMBL21322984 0.77 GPR183 (0.48) KMT2ACCNCCDK8MAPTENPP2

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 19 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 claimed
US-20140343075-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2014-11-20 US claimed
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-2623491-A2 Piperidine and piperazine derivatives as autotaxin inhibitors Merck Patent GmbH (DE) 2013-08-07 EP 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
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 FNTA 1086/4885FNTB 1363/4885KMT2A 940/4885
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E FNTA 1086/4885FNTB 1363/4885KMT2A 940/4885

“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.