SCHEMBL1754868

SCHEMBL1754868

CCN(CC)C(=O)N1CC(N)=Nc2ccccc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 2/20 0.51
CTSD P07339 2/20 0.44
POLB P06746 2/20 0.44
HTT P42858 1/20 0.43
DPP8 Q6V1X1 2/20 0.41
DPP9 Q86TI2 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
DPP4 P27487 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
HTR1A P08908 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NOTUM Q6P988 1/20 0.38
P2RX4 Q99571 2/20 0.38
PTBP1 P26599 1/20 0.38
P2RX1 P51575 1/20 0.38
P2RX3 P56373 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2090954 0.80 MAPT (0.45) POLBNOS3NOS1NOS2SIGMAR1
SCHEMBL1754212 0.78 SIGMAR1 (0.50) CTSDNOS3NOS1NOS2SIGMAR1
SCHEMBL10047202 0.76 NOS3 (0.39) DPP8DPP9DPP7DPP4NOS3
SCHEMBL2090375 0.76 NOS3 (0.41) CTSDDPP8DPP9DPP7DPP4
SCHEMBL1754463 0.75 PRMT5 (0.43) DPP8DPP9DPP7DPP4NOS3
SCHEMBL6867120 0.68 RYR2 (1.00) RYR2POLBHTTHTR1ANPSR1
SCHEMBL2090957 0.67 SIGMAR1 (0.41) CTSDDPP8DPP9DPP7DPP4
SCHEMBL15090906 0.65 SIGMAR1 (0.40) CTSDDPP8DPP9DPP7DPP4
SCHEMBL15090844 0.64 SIGMAR1 (0.39) CTSDDPP8DPP9DPP7DPP4
SCHEMBL15090847 0.64 SIGMAR1 (0.41) CTSDDPP8DPP9DPP7DPP4

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673898-B2 Aminodiazepines as toll-like receptor modulators ARRAY BIOPHARMA INC. (US) 2014-03-18 US claimed
EP-1928845-B1 Aminodiazepines as toll-like receptor modulators ARRAY BIOPHARMA INC (US) 2013-07-10 EP claimed
US-20120208801-A1 Aminodiazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA INC. (US) 2012-08-16 US claimed
US-8163738-B2 Aminodiazepines as toll-like receptor modulators ARRAY BIOPHARMA INC. (US) 2012-04-24 US claimed
US-20080306050-A1 Aminodiazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA INC. (CO) 2008-12-11 US claimed
EP-1928845-A2 AMINODIAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Array Biopharma, Inc. (US) 2008-06-11 EP claimed
WO-2007040840-A2 AMINODIAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS ARRAY BIOPHARMA INC. (US) 2007-04-12 WO claimed
US-8673898-B2 Aminodiazepines as toll-like receptor modulators ARRAY BIOPHARMA INC. (US) 2014-03-18 US disclosed
US-8673898-B2 Aminodiazepines as toll-like receptor modulators ARRAY BIOPHARMA INC. (US) 2014-03-18 US disclosed
US-8673898-B2 Aminodiazepines as toll-like receptor modulators ARRAY BIOPHARMA INC. (US) 2014-03-18 US disclosed
EP-1928845-B1 Aminodiazepines as toll-like receptor modulators ARRAY BIOPHARMA INC (US) 2013-07-10 EP disclosed
EP-1928845-B1 Aminodiazepines as toll-like receptor modulators ARRAY BIOPHARMA INC (US) 2013-07-10 EP disclosed
US-20120208801-A1 Aminodiazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA INC. (US) 2012-08-16 US disclosed
US-8163738-B2 Aminodiazepines as toll-like receptor modulators ARRAY BIOPHARMA INC. (US) 2012-04-24 US disclosed
US-8163738-B2 Aminodiazepines as toll-like receptor modulators ARRAY BIOPHARMA INC. (US) 2012-04-24 US disclosed
US-8163738-B2 Aminodiazepines as toll-like receptor modulators ARRAY BIOPHARMA INC. (US) 2012-04-24 US disclosed
US-20080306050-A1 Aminodiazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA INC. (CO) 2008-12-11 US disclosed
US-20080306050-A1 Aminodiazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA INC. (CO) 2008-12-11 US disclosed
US-20080306050-A1 Aminodiazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA INC. (CO) 2008-12-11 US disclosed
WO-2007040840-A2 AMINODIAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS ARRAY BIOPHARMA INC. (US) 2007-04-12 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 (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-20120208801-A1 Aminodiazepines as Toll-Like Receptor Modulators TLR8, TLR1, TLR5 RYR2 628/4885CTSD 2484/4885POLB 4184/4885
US-20080306050-A1 Aminodiazepines as Toll-Like Receptor Modulators TLR8, TLR1, TLR5 RYR2 628/4885CTSD 2484/4885POLB 4184/4885

“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.