SCHEMBL4117172

SCHEMBL4117172

COC(=O)C(NC(=O)c1nc(Br)n2c1CN(C(=O)OC(C)(C)C)CCC2)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.41
NR1H2 P55055 1/20 0.34
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
CYBB P04839 1/20 0.33
NOX5 Q96PH1 1/20 0.33
NOX4 Q9NPH5 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
ALDH1A1 P00352 2/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
CNR1 P21554 3/20 0.31
MAPT P10636 2/20 0.31
TRPV3 Q8NET8 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL4117175 1.00 CNR2 (0.41) CNR2NR1H2MEN1KMT2ACYBB
SCHEMBL12883213 0.90 CNR2 (0.41) CNR2NR1H2MEN1KMT2ACYBB
SCHEMBL12883462 0.90 CNR2 (0.53) CNR2NR1H2MEN1KMT2ACYBB
SCHEMBL12883210 0.89 CNR2 (0.40) CNR2NR1H2MEN1KMT2ACYBB
SCHEMBL1173988 0.85 CNR2 (0.60) CNR2MEN1KMT2ACYBBNOX5
SCHEMBL1173986 0.85 CNR2 (0.60) CNR2MEN1KMT2ACYBBNOX5
SCHEMBL1174376 0.83 CNR2 (0.48) CNR2NR1H2MEN1KMT2AALDH1A1
SCHEMBL1174375 0.83 CNR2 (0.48) CNR2NR1H2MEN1KMT2AALDH1A1
SCHEMBL13798751 0.83 CNR2 (0.38) CNR2CYBBNOX5NOX4NOX1
SCHEMBL4120923 0.83 CNR2 (0.43) CNR2NR1H2MEN1KMT2ACYBB

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-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 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-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 CNR2 2/4885NR1H2 51/4885MEN1 3773/4885

“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.