SCHEMBL107920

SCHEMBL107920

O=C(CCN1CCN(S(=O)(=O)C=Cc2ccccc2)CC1)c1ccc2[nH]c(=O)oc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.59
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 0.51
ALDH1A1 P00352 6/20 0.46
LMNA P02545 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
RECQL P46063 1/20 0.46
ESR1 P03372 1/20 0.46

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
SCHEMBL107919 1.00 ENPP2 (0.59) ENPP2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL106548 0.91 ENPP2 (0.56) ENPP2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL106547 0.91 ENPP2 (0.56) ENPP2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL105369 0.85 ENPP2 (0.66) ENPP2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL105370 0.85 ENPP2 (0.66) ENPP2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL104294 0.81 ENPP2 (0.65) ENPP2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7959501 0.80 ENPP2 (0.74) ENPP2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3048946 0.79 ENPP2 (0.85) ENPP2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3048945 0.79 ENPP2 (0.85) ENPP2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL108514 0.79 ENPP2 (0.64) 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 8 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
EP-2193118-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES FOR TREATING TUMOURS Merck Patent GmbH (DE) 2010-06-09 EP claimed
WO-2009046841-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES FOR TREATING TUMOURS MERCK PATENT GMBH (DE) 2009-04-16 WO claimed
EP-2426106-B1 Piperidine and Piperazine derivatives for the treatment of tumours MERCK PATENT GMBH (DE) 2013-07-31 EP disclosed
EP-2426106-A1 Piperidine and Piperazine derivatives for the treatment of tumours Merck Patent GmbH (DE) 2012-03-07 EP 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 (1 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-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.