SCHEMBL118378

SCHEMBL118378

O=C(/C=C/c1cc(Cl)cc(Cl)c1)N1CCC(N2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.52
ATXN2 Q99700 2/20 0.52
GPR183 P32249 9/20 0.43
L3MBTL1 Q9Y468 3/20 0.40
L3MBTL3 Q96JM7 2/20 0.40
KCNH2 Q12809 1/20 0.40
LRRK2 Q5S007 1/20 0.39
CHRM1 P11229 2/20 0.39
LMNA P02545 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
SCHEMBL14889467 1.00 ENPP2 (0.52) ENPP2ATXN2GPR183L3MBTL1L3MBTL3
SCHEMBL16962843 0.88 ENPP2 (0.54) ENPP2ATXN2GPR183KCNH2LMNA
SCHEMBL21323318 0.88 ENPP2 (0.54) ENPP2ATXN2GPR183KCNH2LMNA
SCHEMBL16962846 0.88 ENPP2 (0.54) ENPP2ATXN2GPR183KCNH2LMNA
SCHEMBL16961555 0.85 ENPP2 (0.51) ENPP2ATXN2GPR183KCNH2
SCHEMBL16962435 0.85 ENPP2 (0.51) ENPP2ATXN2GPR183KCNH2
SCHEMBL17310920 0.85 ENPP2 (0.51) ENPP2ATXN2GPR183KCNH2
SCHEMBL16961561 0.85 ENPP2 (0.51) ENPP2ATXN2GPR183KCNH2
SCHEMBL17310921 0.85 ENPP2 (0.51) ENPP2ATXN2GPR183KCNH2
SCHEMBL16961552 0.85 ENPP2 (0.51) ENPP2ATXN2GPR183KCNH2

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 8 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
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 ENPP2 1/4885ATXN2 1876/4885GPR183 2187/4885
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E ENPP2 1/4885ATXN2 1876/4885GPR183 2187/4885

“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.