SCHEMBL106095

SCHEMBL106095

O=C1NC(=O)C2(CCN(CCC(=O)c3ccc4[nH]c(=O)oc4c3)CC2)N1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
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
ENPP2 Q13822 6/20 0.55
KCNH2 Q12809 1/20 0.54
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTR2A P28223 6/20 0.45
HTR2C P28335 6/20 0.45
HTR2B P41595 6/20 0.45
CREBBP Q92793 1/20 0.44
ATXN2 Q99700 1/20 0.42
CRBN Q96SW2 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
SCHEMBL1907303 0.82 ENPP2 (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21580523 0.81 ENPP2 (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL172137 0.81 GRIN2D (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2548653 0.81 ENPP2 (0.66) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15135270 0.79 ENPP2 (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3041478 0.79 ENPP2 (0.72) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL171983 0.77 ENPP2 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15135277 0.76 ENPP2 (0.66) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7959501 0.76 ENPP2 (0.74) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13178471 0.76 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426106-B1 Piperidine and Piperazine derivatives for the treatment of tumours MERCK PATENT GMBH (DE) 2013-07-31 EP claimed
EP-2426106-A1 Piperidine and Piperazine derivatives for the treatment of tumours Merck Patent GmbH (DE) 2012-03-07 EP 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-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
US-20100222341-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HARTUNG (DE) 2010-09-02 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-20120316162-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES CCND2, CCND1, TPD52L2 GRIN2D 131/4885GRIN3B 1258/4885GRIN1 279/4885
US-20100222341-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES CCND2, CCND1, TPD52L2 GRIN2D 131/4885GRIN3B 1258/4885GRIN1 279/4885

“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.