SCHEMBL171624

SCHEMBL171624

O=C(CCN1CCN(C(=O)OC2CCOc3ccccc32)CC1)c1ccc2[nH]c(=O)oc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 10/20 0.64
KCNH2 Q12809 1/20 0.57
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 2/20 0.40
ATXN2 Q99700 1/20 0.40
MAPT P10636 4/20 0.39
HTT P42858 3/20 0.39
LMNA P02545 2/20 0.39
TAAR1 Q96RJ0 2/20 0.39
HIF1A Q16665 1/20 0.39
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.38
ALDH3A1 P30838 1/20 0.38

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
SCHEMBL103194 0.90 ENPP2 (0.55) ENPP2KCNH2GRIN2DGRIN3BGRIN1
SCHEMBL171681 0.87 ENPP2 (0.66) ENPP2KCNH2GRIN2DGRIN3BGRIN1
SCHEMBL3054411 0.81 ENPP2 (0.70) ENPP2KCNH2GRIN2DGRIN3BGRIN1
SCHEMBL3055788 0.79 ENPP2 (0.51) ENPP2KCNH2GRIN2DGRIN3BGRIN1
SCHEMBL171674 0.77 ENPP2 (1.00) ENPP2KCNH2GRIN2DGRIN3BGRIN1
SCHEMBL104292 0.77 ENPP2 (0.78) ENPP2KCNH2GRIN2DGRIN3BGRIN1
SCHEMBL105154 0.77 ENPP2 (0.56) ENPP2KCNH2GRIN2DGRIN3BGRIN1
SCHEMBL103789 0.77 ENPP2 (0.61) ENPP2KCNH2GRIN2DGRIN3BGRIN1
SCHEMBL171695 0.76 ENPP2 (0.73) ENPP2KCNH2GRIN2DGRIN3BGRIN1
SCHEMBL3041478 0.76 ENPP2 (0.72) ENPP2KCNH2GRIN2DGRIN3BGRIN1

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-8791111-B2 Piperidine and piperazine derivatives MERCK PATENT GMBH (DE) 2014-07-29 US claimed
US-20100222341-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HARTUNG (DE) 2010-09-02 US claimed
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
EP-2426106-B1 Piperidine and Piperazine derivatives for the treatment of tumours MERCK PATENT GMBH (DE) 2013-07-31 EP 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-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 (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-20120316162-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES CCND2, CCND1, TPD52L2 ENPP2 3706/4885KCNH2 66/4885GRIN2D 131/4885
US-20100222341-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES CCND2, CCND1, TPD52L2 ENPP2 3706/4885KCNH2 66/4885GRIN2D 131/4885

“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.