SCHEMBL3225592

SCHEMBL3225592

CCCN(CCC)c1cccc(N)n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.42
NOS2 P35228 1/20 0.42
CNR1 P21554 1/20 0.39
HCAR3 P49019 2/20 0.37
MCHR1 Q99705 4/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
ASIC3 Q9UHC3 1/20 0.34
CRHR1 P34998 3/20 0.34
DHFR P00374 1/20 0.33
S1PR1 P21453 1/20 0.33
NOS1 P29475 1/20 0.33

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
SCHEMBL2252055 0.84 NOS3 (0.45) NOS3NOS2CNR1MCHR1ASIC3
SCHEMBL10490484 0.74 HRH3 (0.42) NOS3NOS2CNR1MCHR1NOS1
SCHEMBL20689246 0.73 MCHR1 (0.36) NOS3NOS2MCHR1DHFRNOS1
SCHEMBL1097604 0.73 NOS3 (0.50) NOS3NOS2MCHR1ASIC3NOS1
SCHEMBL29907766 0.73 NOS3 (0.50) NOS3NOS2MCHR1ASIC3NOS1
SCHEMBL23104383 0.72 HRH3 (0.59) NOS3NOS2NOS1
SCHEMBL29736634 0.72 HRH3 (0.59) NOS3NOS2NOS1
SCHEMBL19121972 0.72 CRHR1 (0.39) NOS3NOS2CNR1CRHR1
SCHEMBL10056763 0.72 HCAR3 (0.39) HCAR3CRHR1DHFR
SCHEMBL16002391 0.72 LMNA (0.41) CNR1HCAR3CRHR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084569-B2 Process for the synthesis of diaminopyridines from glutarimidines E.I. DUPONT DE NEMOURS AND COMPANY (US) 2011-12-27 US disclosed
US-20100056749-A1 PROCESS FOR THE SYNTHESIS OF DIAMINOPYRIDINES FROM GLUTARIMIDINES E. I. DU PONT DE NEMOURS AND COMPANY 2010-03-04 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 (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-20100056749-A1 PROCESS FOR THE SYNTHESIS OF DIAMINOPYRIDINES FROM GLUTARIMIDINES DPYD, GCDH, OGDH NOS3 2512/4885NOS2 1421/4885CNR1 4308/4885

“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.