SCHEMBL4127899

SCHEMBL4127899

CCNC(=O)C(NC(=O)c1nc(-c2ccc(Cl)cc2F)n2c1CN(C)CCC2)C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.57
THRB P10828 4/20 0.37
TP53 P04637 4/20 0.37
LMNA P02545 4/20 0.36
PDE4B Q07343 2/20 0.34
PDE4D Q08499 2/20 0.34
POLB P06746 1/20 0.34
CNR1 P21554 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
GPR6 P46095 2/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33

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
SCHEMBL4127897 1.00 CNR2 (0.57) CNR2THRBTP53LMNAPDE4B
SCHEMBL4126620 0.94 CNR2 (0.58) CNR2THRBTP53LMNAPOLB
SCHEMBL4126616 0.94 CNR2 (0.58) CNR2THRBTP53LMNAPOLB
SCHEMBL4127684 0.92 CNR2 (0.59) CNR2THRBTP53CNR1GPR6
SCHEMBL4127688 0.92 CNR2 (0.59) CNR2THRBTP53CNR1GPR6
SCHEMBL1174629 0.91 CNR2 (0.69) CNR2THRBTP53LMNAPDE4B
SCHEMBL1174631 0.91 CNR2 (0.69) CNR2THRBTP53LMNAPDE4B
SCHEMBL4117281 0.89 CNR2 (0.56) CNR2THRBTP53LMNAPDE4B
SCHEMBL4117277 0.89 CNR2 (0.56) CNR2THRBTP53LMNAPDE4B
SCHEMBL4121463 0.89 CNR2 (0.59) CNR2THRBTP53LMNAPDE4B

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 2/4885THRB 1718/4885TP53 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.