SCHEMBL5095438

SCHEMBL5095438

c1ccc2c(c1)[C@@H]1CC[C@H]2N1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
OPRM1 P35372 1/20 0.41
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
HTR2C P28335 2/20 0.37
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL2724251 1.00 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29468003 1.00 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL23112138 0.97 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL29865647 0.97 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Iodide SCHEMBL5269463 0.97 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23611635 0.89 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL23611554 0.87 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1763199 0.79 KDM1A (0.50) SLC6A3
SCHEMBL1763476 0.79 KDM1A (0.50) SLC6A3
SCHEMBL13116596 0.78 CHRNB4 (0.52) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142668-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (GB) 2012-06-07 US disclosed
US-20120142668-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (GB) 2012-06-07 US disclosed
US-20120142668-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (GB) 2012-06-07 US disclosed
US-7384946-B2 N-{4-[2-([11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-ethyl]-cyclohexyl}-2-[2-({4-[2-([11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-ethyl]-cyclohexylcarbamoyl}}-methyl)-phenyl]]-acetamide; respiratory system disorders: COPD, bronchitis, asthma, pulmonary fibrosis, emphysema, rhinitis GLAXO GROUP LIMITED (GB) 2008-06-10 US disclosed
US-7384946-B2 N-{4-[2-([11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-ethyl]-cyclohexyl}-2-[2-({4-[2-([11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-ethyl]-cyclohexylcarbamoyl}}-methyl)-phenyl]]-acetamide; respiratory system disorders: COPD, bronchitis, asthma, pulmonary fibrosis, emphysema, rhinitis GLAXO GROUP LIMITED (GB) 2008-06-10 US disclosed
US-20070149598-A1 M3 muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-06-28 US disclosed
US-20070149598-A1 M3 muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-06-28 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-20120142668-A1 CATHEPSIN C INHIBITORS CTSE, CTSB, CTSS GRIN2D 4156/4885GRIN3B 2847/4885GRIN1 3255/4885
US-20070149598-A1 M3 muscarinic acetylcholine receptor antagonists CHRM3, CHRM2, CHRM5 GRIN2D 631/4885GRIN3B 76/4885GRIN1 265/4885

“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.