SCHEMBL109647

SCHEMBL109647

O=C(CCN1CCN(CCc2ccc(F)cc2)CC1)c1ccc2[nH]c(=O)oc2c1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.76
GRIN2D O15399 3/20 0.76
GRIN3B O60391 3/20 0.76
GRIN1 Q05586 3/20 0.76
GRIN2A Q12879 3/20 0.76
GRIN2C Q14957 3/20 0.76
GRIN3A Q8TCU5 3/20 0.76
ENPP2 Q13822 5/20 0.61
KCNH2 Q12809 1/20 0.59
HTR1A P08908 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HTR2A P28223 2/20 0.46
DRD2 P14416 1/20 0.46
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
HTR6 P50406 1/20 0.45

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
SCHEMBL170048 0.88 ENPP2 (0.70) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1908150 0.86 GRIN2B (1.00) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3055765 0.86 ENPP2 (0.83) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2548653 0.84 ENPP2 (0.66) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL105299 0.84 GRIN2B (0.62) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1907303 0.82 ENPP2 (0.67) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL105752 0.82 GRIN2B (0.63) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3041478 0.82 ENPP2 (0.72) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL172076 0.82 ENPP2 (0.61) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL172137 0.82 GRIN2D (0.64) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A

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 17 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
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-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
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
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
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 GRIN2B 476/4885GRIN2D 131/4885GRIN3B 1258/4885
US-20100222341-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES CCND2, CCND1, TPD52L2 GRIN2B 476/4885GRIN2D 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.