SCHEMBL5355075

SCHEMBL5355075

NCC1CCN(C(=O)O)C(Cc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.46
PRMT3 O60678 1/20 0.44
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
PRMT1 Q99873 1/20 0.44
PRMT8 Q9NR22 1/20 0.44
TACR3 P29371 1/20 0.44
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
FAAH O00519 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
SCHEMBL28169013 0.90 TACR3 (0.50) TACR3GAAMEN1KMT2AFAAH
SCHEMBL5346986 0.88 CCR3 (0.43) MEN1KMT2A
SCHEMBL5357274 0.88 FAAH (0.42) TACR1FAAH
SCHEMBL5347407 0.88 ALDH1A1 (0.43) TACR1GAA
SCHEMBL5353337 0.87 TACR1 (0.39) TACR1GAA
SCHEMBL20571979 0.83 NR1H2 (0.49) TACR1
SCHEMBL7854892 0.83 TACR1 (0.63) TACR1
SCHEMBL10587915 0.83 TACR1 (0.46) TACR1TACR3GAA
SCHEMBL18862950 0.82 HSD11B1 (0.48) TACR3
SCHEMBL18862951 0.82 HSD11B1 (0.48) TACR3

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
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-1399160-A4 NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES MERCK & CO INC (US) 2004-08-25 EP disclosed
EP-1399160-A2 NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES Merck & Co., Inc. (US) 2004-03-24 EP disclosed
EP-1379520-A1 N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS Merck & Co., Inc. (US) 2004-01-14 EP disclosed
WO-2002100352-A2 NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES MERCK & CO., INC. (US) 2002-12-19 WO 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
EP-1202988-A2 NOVEL INTEGRIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2002-05-08 EP disclosed
WO-2001010847-A2 NOVEL INTEGRIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2001-02-15 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 TACR1 276/4885PRMT3 1835/4885CARM1 2571/4885
US-20040204341-A1 Nr2b receptor antagonists for the treatment or prevention of migraines HTR1B, HTR2B, HTR1A TACR1 55/4885PRMT3 1748/4885CARM1 4253/4885
US-20020165241-A1 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists GRIN1, GRIN2B, GRIN2A TACR1 289/4885PRMT3 1618/4885CARM1 2311/4885

“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.