SCHEMBL344158

SCHEMBL344158

CCS(=O)(=O)N1CCc2c(C(=O)N[C@H](C(=O)NC)C(C)(C)C)nc(-c3ccccc3)n2CC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.63
CNR1 P21554 6/20 0.48
GAA P10253 1/20 0.45
THRB P10828 2/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
ADAM17 P78536 2/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL344159 1.00 CNR2 (0.63) CNR2CNR1GAATHRBLMNA
SCHEMBL1174750 0.92 CNR2 (0.69) CNR2CNR1GAAADAM17MMP2
SCHEMBL1174753 0.92 CNR2 (0.69) CNR2CNR1GAAADAM17MMP2
SCHEMBL1174611 0.86 CNR2 (0.75) CNR2CNR1GAATHRBLMNA
SCHEMBL1174608 0.86 CNR2 (0.75) CNR2CNR1GAATHRBLMNA
SCHEMBL343263 0.86 CNR2 (0.58) CNR2CNR1GAAKMT2A
SCHEMBL368019 0.86 CNR2 (0.74) CNR2CNR1GAATHRBLMNA
SCHEMBL368020 0.86 CNR2 (0.74) CNR2CNR1GAATHRBLMNA
SCHEMBL1175777 0.85 CNR2 (0.70) CNR2CNR1GAAADAM17MMP2
SCHEMBL1175780 0.85 CNR2 (0.70) CNR2CNR1GAAADAM17MMP2

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-8835422-B2 Substituted imidazoheterocycle derivatives CARA THERAPEUTICS, INC. (US) 2014-09-16 US disclosed
US-8835422-B2 Substituted imidazoheterocycle derivatives CARA THERAPEUTICS, INC. (US) 2014-09-16 US disclosed
US-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CARA THERAPEUTICS, INC. (US) 2012-01-19 US disclosed
US-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CARA THERAPEUTICS, INC. (US) 2012-01-19 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-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CNR1, CNR2, HRH1 CNR2 2/4885CNR1 1/4885GAA 4374/4885

“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.