SCHEMBL5362237

SCHEMBL5362237

NCC1CCN(CC(O)Cc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.67
GRIN3B O60391 1/20 0.67
ADRA1D P25100 1/20 0.67
ADRA1A P35348 1/20 0.67
ADRA1B P35368 1/20 0.67
GRIN1 Q05586 1/20 0.67
GRIN2A Q12879 1/20 0.67
GRIN2B Q13224 1/20 0.67
GRIN2C Q14957 1/20 0.67
GRIN3A Q8TCU5 1/20 0.67
SLC6A4 P31645 6/20 0.57
SLC6A3 Q01959 6/20 0.57
SLC6A2 P23975 4/20 0.57
SLC18A3 Q16572 1/20 0.56
CARM1 Q86X55 1/20 0.54
PRMT6 Q96LA8 1/20 0.54
DRD4 P21917 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL22928809 0.85 GRIN2D (0.63) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL9621424 0.82 SLC6A4 (0.68) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL5362231 0.80 GRIN2D (0.57) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL6986594 0.79 CARM1 (0.69) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL4315940 0.79 GRIN2D (0.56) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL6174349 0.79 SLC6A4 (0.60) GRIN2DGRIN3BADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7035790 0.78 CARM1 (0.67) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL27701808 0.78 GRIN2D (0.58) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL5967992 0.78 TSHR (0.59) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL8259606 0.77 GRIN2D (0.56) GRIN2DGRIN3BADRA1DADRA1AADRA1B

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
CN-111892584-B Fluorescent probe and preparation method and application thereof 国家纳米科学中心 2022-01-11 CN claimed
CN-111808017-B Nitrogen-containing heterocyclic compound, and preparation method and application thereof 国家纳米科学中心 2023-11-28 CN disclosed
CN-111892584-B Fluorescent probe and preparation method and application thereof 国家纳米科学中心 2022-01-11 CN disclosed
CN-111892584-A Fluorescent probe and preparation method and application thereof 国家纳米科学中心 2020-11-06 CN disclosed
CN-111808017-A Nitrogen-containing heterocyclic compound and preparation method and application thereof 国家纳米科学中心 2020-10-23 CN disclosed
US-7259157-B2 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK & CO., INC. (US) 2007-08-21 US disclosed
US-20040204341-A1 Nr2b receptor antagonists for the treatment or prevention of migraines ALLEN CHRISTOPHER (US) 2004-10-14 US disclosed
US-20030119811-A1 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK SHARP & DOHME CORP. 2003-06-26 US 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 (2 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-20040204341-A1 Nr2b receptor antagonists for the treatment or prevention of migraines HTR1B, HTR2B, HTR1A GRIN2D 26/4885GRIN3B 13/4885ADRA1D 286/4885
US-20030119811-A1 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists GRIN1, GRIN2B, GRIN2A GRIN2D 7/4885GRIN3B 6/4885ADRA1D 663/4885

“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.