SCHEMBL3445969

SCHEMBL3445969

O=C(CN1CCC(Cc2cccs2)CC1)Nc1ccc2[nH]c(=O)oc2c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 7/20 0.55
GRIN2D O15399 5/20 0.55
GRIN3B O60391 5/20 0.55
GRIN2A Q12879 5/20 0.55
GRIN2B Q13224 5/20 0.55
GRIN2C Q14957 5/20 0.55
GRIN3A Q8TCU5 5/20 0.55
ENPP2 Q13822 2/20 0.53
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL3446122 0.86 GRIN1 (0.73) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL3446674 0.83 GRIN1 (0.74) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
Hydrochloric Acid SCHEMBL4577735 0.82 GRIN1 (0.73) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL4577962 0.79 GRIN2D (0.59) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL14040639 0.78 GRIN1 (0.52) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL16239879 0.76 ENPP2 (0.59) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL4577408 0.76 ALDH1A1 (0.61) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL4418438 0.76 GRIN2D (0.61) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL3454623 0.76 GRIN1 (0.60) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL3445998 0.74 GRIN2D (0.73) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B

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
EP-1485363-B1 CYCLIC AMIDES MERCK PATENT GMBH (DE) 2008-10-08 EP claimed
US-20050124627-A1 Cyclic amides MERCK PATENT GMBH (DE) 2005-06-09 US claimed
EP-1485363-A1 CYCLIC AMIDES MERCK PATENT GmbH (DE) 2004-12-15 EP claimed
WO-2003076420-A1 CYCLIC AMIDES MERCK PATENT GMBH (DE) 2003-09-18 WO claimed
US-7816376-B2 Cyclic amides MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-7816376-B2 Cyclic amides MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-7816376-B2 Cyclic amides MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
EP-1485363-B1 CYCLIC AMIDES MERCK PATENT GMBH (DE) 2008-10-08 EP disclosed
US-20050124627-A1 Cyclic amides MERCK PATENT GMBH (DE) 2005-06-09 US disclosed
EP-1485363-A1 CYCLIC AMIDES MERCK PATENT GmbH (DE) 2004-12-15 EP disclosed
WO-2003076420-A1 CYCLIC AMIDES MERCK PATENT GMBH (DE) 2003-09-18 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 (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-20050124627-A1 Cyclic amides NPY1R, GRIK1, GRIK4 GRIN1 6/4885GRIN2D 20/4885GRIN3B 49/4885

“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.