SCHEMBL4121910

SCHEMBL4121910

CCN1CCCn2c(Br)nc(C(=O)N[C@H](C(=O)NC)C(C)(C)C)c2C1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.56
CNR1 P21554 9/20 0.38
ADAM17 P78536 2/20 0.36
MMP1 P03956 2/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 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
SCHEMBL4121914 1.00 CNR2 (0.56) CNR2CNR1ADAM17MMP1MMP2
SCHEMBL1174258 0.88 CNR2 (0.72) CNR2CNR1ADAM17
SCHEMBL1174256 0.88 CNR2 (0.72) CNR2CNR1ADAM17
SCHEMBL1174849 0.84 CNR2 (0.79) CNR2CNR1ADAM17MMP2MMP3
SCHEMBL1174846 0.84 CNR2 (0.79) CNR2CNR1ADAM17MMP2MMP3
SCHEMBL1174236 0.83 CNR2 (0.63) CNR2CNR1ADAM17MMP1MMP2
SCHEMBL1174234 0.83 CNR2 (0.63) CNR2CNR1ADAM17MMP1MMP2
SCHEMBL12883462 0.82 CNR2 (0.53) CNR2CNR1ADAM17
SCHEMBL4125569 0.82 CNR2 (0.57) CNR2CNR1
SCHEMBL4125566 0.82 CNR2 (0.57) CNR2CNR1

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 6 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-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
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 1/4885ADAM17 3598/4885

“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.