SCHEMBL171633

SCHEMBL171633

O=C(CCN1CCC2(CC1)Oc1ccccc1CC2=O)c1ccc2[nH]c(=O)oc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.55
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
KCNH2 Q12809 1/20 0.49
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
HIF1A Q16665 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
ATXN2 Q99700 1/20 0.41
USP2 O75604 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL171983 0.82 ENPP2 (0.56) ENPP2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL21580523 0.80 ENPP2 (0.64) ENPP2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15135270 0.79 ENPP2 (0.61) ENPP2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2548653 0.78 ENPP2 (0.66) ENPP2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1907303 0.77 ENPP2 (0.67) ENPP2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL172137 0.76 GRIN2D (0.64) ENPP2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7959501 0.76 ENPP2 (0.74) ENPP2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL106095 0.76 GRIN2D (0.56) ENPP2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13178471 0.75 GRIN2D (0.54) ENPP2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3041478 0.74 ENPP2 (0.72) ENPP2GRIN2DGRIN3BGRIN1GRIN2A

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 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
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
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 3706/4885GRIN2D 131/4885GRIN3B 1258/4885
US-20100222341-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES CCND2, CCND1, TPD52L2 ENPP2 3706/4885GRIN2D 131/4885GRIN3B 1258/4885

“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.