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
SCHEMBL15996442 0.74 NAMPT (0.43) NPSR1ALDH1A1LMNAKDM4EPOLB
SCHEMBL118063 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.

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