SCHEMBL4117142

SCHEMBL4117142

Cc1ccc(-c2nc(C(=O)N[C@](C)(C(=O)O)C(C)(C)C)c3n2CCCNC3)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.35
PDE4D Q08499 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
TP53 P04637 8/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CNR2 P34972 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
SYK P43405 1/20 0.31
CXCR4 P61073 1/20 0.31
MAPT P10636 1/20 0.30
GRM2 Q14416 1/20 0.30

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
SCHEMBL14002028 0.83 CNR2 (0.44) PDE4BPDE4DPDE4APDE4CTP53
SCHEMBL1176089 0.80 CNR2 (0.53) PDE4BPDE4DPDE4APDE4CTP53
SCHEMBL1175016 0.80 CNR2 (0.41) PDE4BPDE4DPDE4APDE4CTP53
SCHEMBL1176090 0.80 CNR2 (0.53) PDE4BPDE4DPDE4APDE4CTP53
SCHEMBL1175012 0.80 CNR2 (0.41) PDE4BPDE4DPDE4APDE4CTP53
SCHEMBL3893218 0.78 CNR2 (0.34) PDE4BPDE4DPDE4APDE4CTP53
SCHEMBL3893221 0.78 CNR2 (0.34) PDE4BPDE4DPDE4APDE4CTP53
SCHEMBL1174989 0.77 CNR2 (0.36) PDE4BPDE4DPDE4APDE4CTP53
SCHEMBL1174993 0.77 CNR2 (0.36) PDE4BPDE4DPDE4APDE4CTP53
SCHEMBL1174908 0.72 CNR2 (0.51) PDE4BPDE4DPDE4APDE4CTP53

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 PDE4B 3700/4885PDE4D 3987/4885PDE4A 3286/4885

“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.