SCHEMBL142101

SCHEMBL142101

COc1ccc(Cl)cc1NC(=O)CN1CCC(N2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
USP2 O75604 3/20 0.53
ALDH1A1 P00352 6/20 0.51
LMNA P02545 2/20 0.51
KCNT1 Q5JUK3 5/20 0.49
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 3/20 0.45
HTT P42858 1/20 0.45
MAPK1 P28482 1/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL119323 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBSLC6A2SLC6A4
SCHEMBL145781 0.78 RHOC (0.41) SMN1; SMN2NPSR1ALDH1A1LMNAKDM4E
SCHEMBL15996646 0.75 RHOC (0.44) SMN1; SMN2NPSR1ALDH1A1LMNAKDM4E
SCHEMBL118063 0.74 NAMPT (0.43) NPSR1ALDH1A1LMNAKDM4EPOLB
SCHEMBL15996442 0.74 NAMPT (0.43) NPSR1ALDH1A1LMNAKDM4EPOLB
SCHEMBL118301 0.74 ENPP2 (0.53)
SCHEMBL117444 0.73 ENPP2 (0.55) KMT2ASLC6A2SLC6A4SLC6A3HRH3
SCHEMBL118796 0.73 ALDH1A1 (0.48) ALDH1A1KDM4EPOLBKMT2AHTT
SCHEMBL14889527 0.73 L3MBTL3 (0.49)
SCHEMBL117560 0.73 CCR3 (0.42) LMNAKMT2ASLC6A2SLC6A4SLC6A3

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 13 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-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-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

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 ALPL 3445/4885SMN1; SMN2 4032/4885NPSR1 1942/4885
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E ALPL 3445/4885SMN1; SMN2 4032/4885NPSR1 1942/4885

“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.