SCHEMBL4110260

SCHEMBL4110260

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.54
CCR1 P32246 2/20 0.39
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
RORC P51449 1/20 0.34
GPR6 P46095 3/20 0.34
TP53 P04637 2/20 0.34
THRB P10828 1/20 0.34
POLB P06746 1/20 0.33
LMNA P02545 2/20 0.33
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
F12 P00748 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
F7 P08709 1/20 0.32
PRSS3 P35030 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
SCHEMBL4110264 1.00 CNR2 (0.54) CNR2CCR1JAK2JAK1JAK3
SCHEMBL4109367 0.95 CNR2 (0.52) CNR2CCR1JAK2JAK1JAK3
SCHEMBL4117125 0.95 CNR2 (0.52) CNR2CCR1JAK2JAK1JAK3
SCHEMBL4109364 0.95 CNR2 (0.52) CNR2CCR1JAK2JAK1JAK3
SCHEMBL4108146 0.95 CNR2 (0.52) CNR2CCR1JAK2JAK1JAK3
SCHEMBL4108094 0.94 CNR2 (0.51) CNR2CCR1RORCGPR6TP53
SCHEMBL4108098 0.94 CNR2 (0.51) CNR2CCR1RORCGPR6TP53
SCHEMBL4118047 0.94 CNR2 (0.51) CNR2CCR1RORCGPR6TP53
SCHEMBL4127101 0.94 CNR2 (0.54) CNR2CCR1JAK2JAK1JAK3
SCHEMBL4127106 0.94 CNR2 (0.54) CNR2CCR1JAK2JAK1JAK3

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 2/4885CCR1 39/4885JAK2 453/4885

“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.