SCHEMBL1174822

SCHEMBL1174822

CC(C)(C)OC(=O)N1CCn2c(-c3ccccc3)nc(C(=O)NC(C(=O)O)C(C)(C)C)c2C1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.56
CKS1B P61024 2/20 0.42
SKP1 P63208 2/20 0.42
SKP2 Q13309 2/20 0.42
NR1H2 P55055 1/20 0.41
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
PTPN11 Q06124 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
ACKR3 P25106 1/20 0.39
USP30 Q70CQ3 1/20 0.39
KIT P10721 1/20 0.38

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
SCHEMBL1174820 1.00 CNR2 (0.56) CNR2CKS1BSKP1SKP2NR1H2
SCHEMBL1174932 0.94 CNR2 (0.61) CNR2CKS1BSKP1SKP2GAA
SCHEMBL1174929 0.94 CNR2 (0.61) CNR2CKS1BSKP1SKP2GAA
SCHEMBL1174999 0.93 CNR2 (0.54) CNR2CKS1BSKP1SKP2NR1H2
SCHEMBL1174995 0.93 CNR2 (0.54) CNR2CKS1BSKP1SKP2NR1H2
SCHEMBL1174192 0.92 CNR2 (0.68) CNR2CKS1BSKP1SKP2NR1H2
SCHEMBL1174415 0.92 CNR2 (0.68) CNR2CKS1BSKP1SKP2NR1H2
SCHEMBL1174188 0.92 CNR2 (0.68) CNR2CKS1BSKP1SKP2NR1H2
SCHEMBL12882770 0.91 CNR2 (0.53) CNR2CKS1BSKP1SKP2NR1H2
SCHEMBL12866718 0.90 TSHR (0.50) CNR2CKS1BSKP1SKP2NR1H2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859538-B2 Uses of substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2014-10-14 US disclosed
EP-2170350-B1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS INC (US) 2013-09-11 EP disclosed
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
US-20110034443-A1 USES OF SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2011-02-10 US disclosed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 US disclosed
US-7517874-B2 Substituted imidazo[1,5-a][1,4]diazepines and imidazo[1,5-a]pyrazines as cannabinoid receptor agonists for the treatment of pain CARA THERAPEUTICS, INC. (US) 2009-04-14 US disclosed
US-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2008-12-25 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 (3 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 2/4885CKS1B 830/4885SKP1 817/4885
US-20110034443-A1 USES OF SUBSTITUTED IMIDAZOHETEROCYCLES CNR2, CNR1, TRPV1 CNR2 1/4885CKS1B 1464/4885SKP1 1724/4885
US-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 CNR2 2/4885CKS1B 830/4885SKP1 817/4885

“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.