SCHEMBL145635

SCHEMBL145635

O=C(Nc1ccc2[nH]nnc2c1)c1ccc(N2CCN(C(=O)OCc3ccc(C(F)(F)F)cc3)CC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
TRPV1 Q8NER1 3/20 0.47
MAPT P10636 4/20 0.47
STAT3 P40763 1/20 0.47
HPGD P15428 1/20 0.47
ENPP2 Q13822 2/20 0.43
ATXN2 Q99700 2/20 0.43
KDM4E B2RXH2 3/20 0.43
NAMPT P43490 1/20 0.42
PRKAA2 P54646 1/20 0.41
DGAT1 O75907 3/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
MGLL Q99685 1/20 0.40

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
SCHEMBL143425 0.94 SMN1; SMN2 (0.53) HDAC1SMN1; SMN2TRPV1MAPTSTAT3
SCHEMBL2810678 0.81 ENPP2 (0.40) SMN1; SMN2TRPV1MAPTENPP2ATXN2
SCHEMBL355797 0.77 ENPP2 (0.49) ENPP2ATXN2
SCHEMBL351658 0.77 ENPP2 (0.42) TRPV1ENPP2ATXN2HIF1AEPAS1
SCHEMBL118404 0.76 CHRNB4 (0.46) HDAC1SMN1; SMN2MAPTENPP2ATXN2
SCHEMBL117385 0.75 KDM4E (0.43) SMN1; SMN2MAPTHPGDENPP2ATXN2
SCHEMBL2810120 0.74 MAPT (0.38) SMN1; SMN2TRPV1MAPTHPGDKDM4E
SCHEMBL2809858 0.73 ENPP2 (0.43) SMN1; SMN2MAPTENPP2ATXN2KDM4E
SCHEMBL118066 0.73 ENPP2 (0.55) ENPP2ATXN2PRKAA2
SCHEMBL118343 0.73 ENPP2 (0.55) ENPP2ATXN2PRKAA2

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 11 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
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
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 HDAC1 616/4885SMN1; SMN2 4032/4885TRPV1 481/4885
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E HDAC1 616/4885SMN1; SMN2 4032/4885TRPV1 481/4885

“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.