SCHEMBL4122152

SCHEMBL4122152

CN1CCCn2c(-c3ccc(F)cc3F)nc(C(=O)NC(C(=O)NCCF)C(C)(C)C)c2C1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.57
CNR1 P21554 2/20 0.37
TP53 P04637 2/20 0.36
THRB P10828 2/20 0.36
PIK3CA P42336 1/20 0.36
BLM P54132 1/20 0.34
DPP4 P27487 1/20 0.33
GPR6 P46095 2/20 0.33
ACKR3 P25106 1/20 0.33
DYRK1A Q13627 1/20 0.32
P2RX7 Q99572 2/20 0.32
CYP3A4 P08684 2/20 0.32
MAP3K14 Q99558 1/20 0.32
SRC P12931 1/20 0.32
MAPK14 Q16539 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL4122148 1.00 CNR2 (0.57) CNR2CNR1TP53THRBPIK3CA
SCHEMBL4120770 0.94 CNR2 (0.57) CNR2CNR1TP53THRBBLM
SCHEMBL4120766 0.94 CNR2 (0.57) CNR2CNR1TP53THRBBLM
SCHEMBL4127688 0.92 CNR2 (0.59) CNR2CNR1TP53THRBPIK3CA
SCHEMBL4127684 0.92 CNR2 (0.59) CNR2CNR1TP53THRBPIK3CA
SCHEMBL4121072 0.91 CNR2 (0.57) CNR2CNR1TP53THRBBLM
SCHEMBL4121076 0.91 CNR2 (0.57) CNR2CNR1TP53THRBBLM
SCHEMBL1174744 0.89 CNR2 (0.71) CNR2CNR1PIK3CAGPR6MAPK14
SCHEMBL1174751 0.89 CNR2 (0.71) CNR2CNR1PIK3CAGPR6MAPK14
SCHEMBL4108148 0.88 CNR2 (0.56) CNR2CNR1TP53THRBGPR6

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 2/4885CNR1 1/4885TP53 4585/4885

“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.