SCHEMBL118545

SCHEMBL118545

CC(C)(C)OC(=O)N1CCN(C2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
L3MBTL3 Q96JM7 6/20 0.43
L3MBTL1 Q9Y468 5/20 0.43
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
TRPV6 Q9H1D0 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
HDAC4 P56524 1/20 0.42
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
CRBN Q96SW2 1/20 0.42
TP53BP1 Q12888 2/20 0.41
MBTD1 Q05BQ5 1/20 0.41
L3MBTL4 Q8NA19 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OGFRL1 Q5TC84 1/20 0.41

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
SCHEMBL14889527 0.85 L3MBTL3 (0.49) L3MBTL3L3MBTL1ACACBACACATP53BP1
SCHEMBL118574 0.84 ACACB (0.38) KMT2AMEN1L3MBTL3L3MBTL1ACACB
SCHEMBL17310827 0.83 GPR119 (0.43) ABL1RIN1GPR119
SCHEMBL17311070 0.83 GPR119 (0.43) ABL1RIN1GPR119
SCHEMBL17310828 0.83 GPR119 (0.43) ABL1RIN1GPR119
SCHEMBL424249 0.82 L3MBTL1 (0.54) L3MBTL3L3MBTL1MBTD1
SCHEMBL117575 0.82 ENPP2 (0.49) KMT2AMEN1L3MBTL3L3MBTL1
SCHEMBL118826 0.82 ENPP2 (0.47) KMT2AMEN1L3MBTL3L3MBTL1
SCHEMBL118739 0.82 ENPP2 (0.47) KMT2AMEN1ACACBACACA
SCHEMBL16962692 0.82 ENPP2 (0.43) KMT2AMEN1GPR119CRBNOPRM1

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 9 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 disclosed
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 KMT2A 940/4885MEN1 1559/4885L3MBTL3 4326/4885
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E KMT2A 940/4885MEN1 1559/4885L3MBTL3 4326/4885

“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.