SCHEMBL5354513

SCHEMBL5354513

CN(C(=O)O)C1CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.51
UBE2M P61081 1/20 0.50
DCUN1D1 Q96GG9 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
OPRK1 P41145 7/20 0.49
KCNH2 Q12809 6/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
OPRM1 P35372 2/20 0.49
OPRD1 P41143 1/20 0.49
LTA4H P09960 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL22582398 0.94 USP2 (0.58) USP2UBE2MDCUN1D1KMT2AOPRK1
SCHEMBL22582397 0.94 USP2 (0.58) USP2UBE2MDCUN1D1KMT2AOPRK1
SCHEMBL22582396 0.94 USP2 (0.58) USP2UBE2MDCUN1D1KMT2AOPRK1
SCHEMBL4300301 0.82 L3MBTL1 (0.51) USP2UBE2MDCUN1D1KMT2AOPRK1
SCHEMBL22582416 0.81 KMT2A (0.53) USP2UBE2MDCUN1D1KMT2AMEN1
SCHEMBL22582413 0.81 KMT2A (0.53) USP2UBE2MDCUN1D1KMT2AMEN1
SCHEMBL22582415 0.81 KMT2A (0.53) USP2UBE2MDCUN1D1KMT2AMEN1
SCHEMBL15292056 0.81 KCNH2 (0.50) USP2UBE2MDCUN1D1KMT2AMEN1
SCHEMBL21064482 0.79 KMT2A (0.65) USP2KMT2AOPRK1L3MBTL1LMNA
SCHEMBL29410950 0.79 KMT2A (0.65) USP2KMT2AOPRK1L3MBTL1LMNA

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-7217716-B2 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists MERCK & CO., INC. (US) 2007-05-15 US disclosed
US-7053089-B2 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists MERCK & CO., INC. (US) 2006-05-30 US disclosed
EP-1379520-B1 N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS MERCK & CO INC (US) 2006-04-26 EP disclosed
US-20040209889-A1 N-substituted nonaryl-heterocyclic nmda/nr2b antagonists MERCK SHARP & DOHME CORP. 2004-10-21 US disclosed
US-20040204341-A1 Nr2b receptor antagonists for the treatment or prevention of migraines ALLEN CHRISTOPHER (US) 2004-10-14 US disclosed
EP-1379520-A1 N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS Merck & Co., Inc. (US) 2004-01-14 EP disclosed
US-20020165241-A1 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists MERCK SHARP & DOHME LLC 2002-11-07 US disclosed
WO-2002068409-A1 N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2002-09-06 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 (3 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-20040209889-A1 N-substituted nonaryl-heterocyclic nmda/nr2b antagonists GRIN1, GRIN2B, GRIN2A USP2 3499/4885UBE2M 3148/4885DCUN1D1 1625/4885
US-20040204341-A1 Nr2b receptor antagonists for the treatment or prevention of migraines HTR1B, HTR2B, HTR1A USP2 2040/4885UBE2M 4156/4885DCUN1D1 2419/4885
US-20020165241-A1 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists GRIN1, GRIN2B, GRIN2A USP2 3725/4885UBE2M 3505/4885DCUN1D1 1791/4885

“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.