Sugi Predict

Sugi Predict / Compounds / SCHEMBL171660

SCHEMBL171660

SCHEMBL171660

O=C(CCN1CCN(C(=O)OCc2ccc(Cl)cc2)CC1)c1ccc2[nH]c(=O)oc2c1

nearest known ligand 0.87

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 15/20 0.87
▸ KCNH2 Q12809 1/20 0.87
▸ ATXN2 Q99700 9/20 0.58
▸ GRIN2D O15399 1/20 0.56
▸ GRIN3B O60391 1/20 0.56
▸ GRIN1 Q05586 1/20 0.56
▸ GRIN2A Q12879 1/20 0.56
▸ GRIN2B Q13224 1/20 0.56
▸ GRIN2C Q14957 1/20 0.56
▸ GRIN3A Q8TCU5 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ KMT2A Q03164 1/20 0.53

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
SCHEMBL107749 0.93 ENPP2 (0.75) ENPP2KCNH2ATXN2GRIN2DGRIN3B
SCHEMBL3054811 0.93 ENPP2 (1.00) ENPP2KCNH2ATXN2GRIN2DGRIN3B
SCHEMBL3051242 0.91 ENPP2 (0.81) ENPP2KCNH2ATXN2GRIN2DGRIN3B
SCHEMBL3055765 0.91 ENPP2 (0.83) ENPP2KCNH2ATXN2GRIN2DGRIN3B
SCHEMBL3060510 0.91 ENPP2 (0.83) ENPP2KCNH2ATXN2GRIN2DGRIN3B
SCHEMBL3053030 0.91 ENPP2 (0.83) ENPP2KCNH2ATXN2GRIN2DGRIN3B
SCHEMBL171674 0.91 ENPP2 (1.00) ENPP2KCNH2ATXN2GRIN2DGRIN3B
SCHEMBL172193 0.91 ENPP2 (0.72) ENPP2KCNH2ATXN2ALDH1A1
SCHEMBL3040168 0.91 ENPP2 (0.79) ENPP2KCNH2ATXN2GRIN2DGRIN3B
SCHEMBL3054826 0.91 ENPP2 (0.85) ENPP2KCNH2ATXN2GRIN2DGRIN3B

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791111-B2 Piperidine and piperazine derivatives MERCK PATENT GMBH (DE) 2014-07-29 — — US claimed
EP-2426106-B1 Piperidine and Piperazine derivatives for the treatment of tumours MERCK PATENT GMBH (DE) 2013-07-31 — — EP claimed
US-20100222341-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HARTUNG (DE) 2010-09-02 — — US claimed
EP-2414327-B1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2014-11-19 — — EP disclosed
US-8841324-B2 Heterocyclic compounds as autotaxin inhibitors MERCK PATENT GMBH (DE) 2014-09-23 — — US disclosed
US-8791111-B2 Piperidine and piperazine derivatives MERCK PATENT GMBH (DE) 2014-07-29 — — US disclosed
US-8791111-B2 Piperidine and piperazine derivatives MERCK PATENT GMBH (DE) 2014-07-29 — — US disclosed
US-8791111-B2 Piperidine and piperazine derivatives MERCK PATENT GMBH (DE) 2014-07-29 — — US disclosed
US-8754097-B2 Piperidine and piperazine derivatives MERCK PATENT GMBH (DE) 2014-06-17 — — US disclosed
US-8754097-B2 Piperidine and piperazine derivatives MERCK PATENT GMBH (DE) 2014-06-17 — — US disclosed
US-8754097-B2 Piperidine and piperazine derivatives MERCK PATENT GMBH (DE) 2014-06-17 — — US disclosed
US-20120316162-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-13 — — US disclosed
US-20120316162-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-13 — — US disclosed
EP-2426106-A1 Piperidine and Piperazine derivatives for the treatment of tumours Merck Patent GmbH (DE) 2012-03-07 — — EP disclosed
US-20120015959-A1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-01-19 — — US disclosed
WO-2010112116-A1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2010-10-07 — — WO disclosed
US-20100222341-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HARTUNG (DE) 2010-09-02 — — US disclosed
US-20100222341-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HARTUNG (DE) 2010-09-02 — — US disclosed
US-20100222341-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HARTUNG (DE) 2010-09-02 — — US disclosed
WO-2009046841-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES FOR TREATING TUMOURS MERCK PATENT GMBH (DE) 2009-04-16 — — WO 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 (3 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-20120316162-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES CCND2, CCND1, TPD52L2 ENPP2 3706/4885KCNH2 66/4885ATXN2 3403/4885
US-20120015959-A1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS ENPP2, HAX1, MTX1 ENPP2 1/4885KCNH2 4245/4885ATXN2 924/4885
US-20100222341-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES CCND2, CCND1, TPD52L2 ENPP2 3706/4885KCNH2 66/4885ATXN2 3403/4885

“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.