SCHEMBL4126827

SCHEMBL4126827

CC(C)(C)OC(=O)N1CCCn2c(-c3cc(Cl)ccc3F)nc(C(=O)O)c2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYBB P04839 1/20 0.42
NOX5 Q96PH1 1/20 0.42
NOX4 Q9NPH5 1/20 0.42
NOX1 Q9Y5S8 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP3A5 P20815 2/20 0.41
RORC P51449 2/20 0.40
MKNK1 Q9BUB5 1/20 0.39
USP30 Q70CQ3 1/20 0.38
ESR2 Q92731 1/20 0.38
KCNH2 Q12809 1/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36

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
SCHEMBL4118039 0.88 CYBB (0.39) MEN1KMT2ACYBBNOX5NOX4
SCHEMBL1175935 0.87 CYP3A4 (0.46) MEN1KMT2ACYP3A4CYP3A5RORC
SCHEMBL1174784 0.81 CKS1B (0.49) MEN1KMT2ACYBBNOX5NOX4
SCHEMBL4125904 0.79 CYBB (0.40) MEN1KMT2ACYBBNOX5NOX4
SCHEMBL12866734 0.78 NR1H2 (0.47) MEN1KMT2ACYP3A4CYP3A5RORC
SCHEMBL1174976 0.77 CNR2 (0.53) MEN1KMT2ACYBBNOX5NOX4
SCHEMBL1174975 0.77 CNR2 (0.53) MEN1KMT2ACYBBNOX5NOX4
SCHEMBL4122313 0.77 DPP4 (0.39) MEN1KMT2ACYBBNOX5NOX4
SCHEMBL4120576 0.77 CNR2 (0.52) MEN1KMT2ACYP3A4CYP3A5MKNK1
SCHEMBL4120583 0.77 CNR2 (0.52) MEN1KMT2ACYP3A4CYP3A5MKNK1

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 6 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-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
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 MEN1 3773/4885KMT2A 2931/4885CYBB 3849/4885

“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.