SCHEMBL3445940

SCHEMBL3445940

CC(C(=O)Nc1ccc2[nH]c(=O)oc2c1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 2/20 0.54
▸ GRIN3B O60391 2/20 0.54
▸ GRIN1 Q05586 2/20 0.54
▸ GRIN2A Q12879 2/20 0.54
▸ GRIN2B Q13224 2/20 0.54
▸ GRIN2C Q14957 2/20 0.54
▸ GRIN3A Q8TCU5 2/20 0.54
▸ ALDH1A1 P00352 3/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ ENPP2 Q13822 3/20 0.45
▸ ATXN2 Q99700 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL4414753 0.86 GRIN1 (0.71) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12508772 0.80 KCNH2 (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12632478 0.77 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3445514 0.76 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3446550 0.76 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16240106 0.75 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3446215 0.74 CREBBP (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3447173 0.73 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3445972 0.73 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3446122 0.72 GRIN1 (0.73) 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
EP-1485363-B1 CYCLIC AMIDES MERCK PATENT GMBH (DE) 2008-10-08 — — EP claimed
CN-1642927-A Cyclic amides MERCK PATENT GMBH (DE) 2005-07-20 — — CN 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
CN-1642927-A Cyclic amides MERCK PATENT GMBH (DE) 2005-07-20 — — CN 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 GRIN2D 20/4885GRIN3B 49/4885GRIN1 6/4885

“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.

Send feedback