SCHEMBL3044896

SCHEMBL3044896

CCc1ccc(C(CNC(=O)C2CCN(CCC(=O)c3ccc4[nH]c(=O)oc4c3)CC2)N(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.54
GRIN3B O60391 1/20 0.54
GRIN1 Q05586 1/20 0.54
GRIN2A Q12879 1/20 0.54
GRIN2B Q13224 1/20 0.54
GRIN2C Q14957 1/20 0.54
GRIN3A Q8TCU5 1/20 0.54
ENPP2 Q13822 5/20 0.47
KCNH2 Q12809 1/20 0.45
KMT2A Q03164 5/20 0.40
OPRD1 P41143 2/20 0.40
MAPT P10636 2/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 2/20 0.38
SMYD3 Q9H7B4 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL3054772 0.80 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3040184 0.79 ENPP2 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL171944 0.79 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL171984 0.77 ENPP2 (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3060510 0.72 ENPP2 (0.83) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2548653 0.72 ENPP2 (0.66) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7418723 0.71 GRIN1 (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1907303 0.71 ENPP2 (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1908150 0.70 GRIN2B (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8546370 0.70 GRIN1 (0.82) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754097-B2 Piperidine and piperazine derivatives MERCK PATENT GMBH (DE) 2014-06-17 US claimed
EP-2426106-B1 Piperidine and Piperazine derivatives for the treatment of tumours MERCK PATENT GMBH (DE) 2013-07-31 EP claimed
US-20120316162-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-13 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-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-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
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.