SCHEMBL144107

SCHEMBL144107

NC(=O)C1[CH]CCN1C1CCN(C(=O)CCc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.49
CNR1 P21554 1/20 0.45
ENPP2 Q13822 1/20 0.44
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TEAD1 P28347 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
YAP1 P46937 1/20 0.40
EPHX2 P34913 2/20 0.39
TPSAB1 Q15661 2/20 0.39
TPSD1 Q9BZJ3 2/20 0.39
TPSG1 Q9NRR2 2/20 0.39
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PRSS1 P07477 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
SCHEMBL23234056 0.79 HRH3 (0.51) HRH3CNR1ENPP2GAATDP1
SCHEMBL2830960 0.77 L3MBTL3 (0.65) HRH3CNR1ENPP2TDP1L3MBTL3
SCHEMBL23252437 0.76 HRH3 (0.64) HRH3CNR1ENPP2TDP1POLB
SCHEMBL144108 0.75 HRH3 (0.52) HRH3CNR1ENPP2L3MBTL3POLB
SCHEMBL1587910 0.74 HRH3 (0.64) HRH3CNR1ENPP2TDP1
SCHEMBL22813668 0.74 HRH3 (0.67) HRH3CNR1TDP1POLB
SCHEMBL3733603 0.74 SIRT2 (0.46) GAATDP1TEAD1KDM4E
SCHEMBL29322341 0.73 HRH3 (0.66) HRH3CNR1TDP1POLB
SCHEMBL118697 0.70 HRH3 (0.57) HRH3CNR1ENPP2L3MBTL3KDM4E
SCHEMBL119661 0.70 HRH3 (0.53) HRH3CNR1ENPP2L3MBTL3MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2623101-B1 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2021-04-21 EP claimed
EP-2623101-A1 Piperidine and piperazine derivatives as autotaxin inhibitors Merck Patent GmbH (DE) 2013-08-07 EP claimed
EP-2623101-B1 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2021-04-21 EP 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-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
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 HRH3 972/4885CNR1 1216/4885ENPP2 1/4885
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E HRH3 972/4885CNR1 1216/4885ENPP2 1/4885

“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.