SCHEMBL4121604

SCHEMBL4121604

CN1CCCn2c(-c3cc(Cl)ccc3F)nc(C(=O)N[C@H](CN3C(=O)c4ccccc4C3=O)C(C)(C)C)c2C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.49
THRB P10828 5/20 0.34
TP53 P04637 4/20 0.34
CHRM3 P20309 3/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 1/20 0.34
DRD2 P14416 3/20 0.33
DRD1 P21728 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 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
SCHEMBL4121609 1.00 CNR2 (0.49) CNR2THRBTP53CHRM3LMNA
SCHEMBL4122982 0.89 CNR2 (0.49) CNR2THRBTP53LMNAKMT2A
SCHEMBL4125904 0.88 CYBB (0.40) CNR2THRBTP53CHRM3LMNA
SCHEMBL4115566 0.86 CNR2 (0.49) CNR2THRBTP53LMNA
SCHEMBL4122443 0.86 CNR2 (0.49) CNR2THRBTP53LMNA
SCHEMBL4117361 0.86 CNR2 (0.47) CNR2THRBTP53LMNAMAPT
SCHEMBL4117364 0.86 CNR2 (0.47) CNR2THRBTP53LMNAMAPT
SCHEMBL4121999 0.84 CNR2 (0.47) CNR2THRBTP53LMNA
SCHEMBL4122005 0.84 CNR2 (0.47) CNR2THRBTP53LMNA
SCHEMBL4115665 0.83 CNR2 (0.46) CNR2THRBTP53LMNA

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 2/4885THRB 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.