SCHEMBL4122979

SCHEMBL4122979

CN1CCCn2c(-c3cc(F)ccc3F)nc(C(=O)N[C@H](C(=O)N3CC(F)(F)C3)C(C)(C)C)c2C1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.55
KIF11 P52732 5/20 0.35
KCNH2 Q12809 4/20 0.35
CNR1 P21554 1/20 0.34
GPR6 P46095 2/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
CCR1 P32246 1/20 0.32
PIM1 P11309 1/20 0.31

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
SCHEMBL4115519 0.94 CNR2 (0.53) CNR2KIF11KCNH2CNR1TP53
SCHEMBL4115512 0.94 CNR2 (0.53) CNR2KIF11KCNH2CNR1TP53
SCHEMBL13798823 0.94 CNR2 (0.54) CNR2KIF11KCNH2CNR1TP53
SCHEMBL4120029 0.94 CNR2 (0.55) CNR2CNR1GPR6CSNK1DCSNK1E
SCHEMBL4120031 0.94 CNR2 (0.55) CNR2CNR1GPR6CSNK1DCSNK1E
SCHEMBL4113782 0.93 CNR2 (0.54) CNR2GPR6TP53THRBCCR1
SCHEMBL4113778 0.93 CNR2 (0.54) CNR2GPR6TP53THRBCCR1
SCHEMBL14888115 0.93 CNR2 (0.59) CNR2KIF11KCNH2CNR1GPR6
SCHEMBL13798846 0.93 CNR2 (0.59) CNR2KIF11KCNH2CNR1GPR6
SCHEMBL4114702 0.91 CNR2 (0.53) CNR2

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 CNR2 2/4885KIF11 3999/4885KCNH2 919/4885

“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.