SCHEMBL3893221

SCHEMBL3893221

CC[C@H](NC(=O)c1nc(-c2ccc(C)cc2F)n2c1CNCCC2)C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.34
TP53 P04637 9/20 0.33
PDE4B Q07343 2/20 0.33
PDE4D Q08499 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
THRB P10828 2/20 0.32
BLM P54132 1/20 0.32
MAPT P10636 1/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
GABRA5 P31644 1/20 0.31
POLB P06746 1/20 0.30
PADI1 Q9ULC6 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
SCHEMBL3893218 1.00 CNR2 (0.34) CNR2TP53PDE4BPDE4DPDE4A
SCHEMBL1175012 0.87 CNR2 (0.41) CNR2TP53PDE4BPDE4DPDE4A
SCHEMBL1175016 0.87 CNR2 (0.41) CNR2TP53PDE4BPDE4DPDE4A
SCHEMBL14002028 0.82 CNR2 (0.44) CNR2TP53PDE4BPDE4DPDE4A
SCHEMBL1176089 0.81 CNR2 (0.53) CNR2TP53PDE4BPDE4DPDE4A
SCHEMBL1176090 0.81 CNR2 (0.53) CNR2TP53PDE4BPDE4DPDE4A
SCHEMBL4117142 0.78 PDE4B (0.35) CNR2TP53PDE4BPDE4DPDE4A
SCHEMBL1174989 0.78 CNR2 (0.36) CNR2TP53PDE4BPDE4DPDE4A
SCHEMBL1174993 0.78 CNR2 (0.36) CNR2TP53PDE4BPDE4DPDE4A
SCHEMBL1174859 0.73 CNR2 (0.56) CNR2TP53PDE4BPDE4DPDE4A

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-7517874-B2 Substituted imidazo[1,5-a][1,4]diazepines and imidazo[1,5-a]pyrazines as cannabinoid receptor agonists for the treatment of pain CARA THERAPEUTICS, INC. (US) 2009-04-14 US disclosed
US-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2008-12-25 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-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 CNR2 2/4885TP53 4585/4885PDE4B 3700/4885

“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.