SCHEMBL4125904

SCHEMBL4125904

CC(C)(C)OC(=O)N1CCCn2c(-c3cc(Cl)ccc3F)nc(C(=O)N[C@H](CN3C(=O)c4ccccc4C3=O)C(C)(C)C)c2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYBB P04839 1/20 0.40
NOX5 Q96PH1 1/20 0.40
NOX4 Q9NPH5 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
CNR2 P34972 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TRPV3 Q8NET8 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP3A5 P20815 2/20 0.34
MKNK1 Q9BUB5 1/20 0.34
CNR1 P21554 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRA6 Q16445 1/20 0.33
MAPT P10636 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
SCHEMBL4121604 0.88 CNR2 (0.49) CNR2KMT2AMAPTTP53THRB
SCHEMBL4121609 0.88 CNR2 (0.49) CNR2KMT2AMAPTTP53THRB
SCHEMBL4126827 0.79 MEN1 (0.44) CYBBNOX5NOX4NOX1CNR2
SCHEMBL4122982 0.77 CNR2 (0.49) CNR2KMT2ACNR1TP53THRB
SCHEMBL13798754 0.77 CNR2 (0.41) CYBBNOX5NOX4NOX1CNR2
SCHEMBL1174975 0.77 CNR2 (0.53) CYBBNOX5NOX4NOX1CNR2
SCHEMBL1174976 0.77 CNR2 (0.53) CYBBNOX5NOX4NOX1CNR2
SCHEMBL4120583 0.76 CNR2 (0.52) CNR2MEN1KMT2ACYP3A4CYP3A5
SCHEMBL4120576 0.76 CNR2 (0.52) CNR2MEN1KMT2ACYP3A4CYP3A5
SCHEMBL4121097 0.76 CNR2 (0.40) CYBBNOX5NOX4NOX1CNR2

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 4 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-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
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 CYBB 3849/4885NOX5 4076/4885NOX4 3885/4885

“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.