SCHEMBL12866689

SCHEMBL12866689

CN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
PDF Q9HBH1 7/20 0.43
CYP2D6 P10635 1/20 0.41
CTSK P43235 7/20 0.40
CTSS P25774 1/20 0.40

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
SCHEMBL3216755 1.00 CA1 (0.46) CA1CA2CA7PDFCYP2D6
SCHEMBL4235638 0.84 JAK3 (0.43) CA1CA2CA7CYP2D6CTSK
SCHEMBL12850058 0.84 JAK3 (0.43) CA1CA2CA7CYP2D6CTSK
SCHEMBL1215893 0.83 CA2 (0.41) CA1CA2CA7CYP2D6CTSK
SCHEMBL10114274 0.81 CA2 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL4682544 0.81 CA2 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL30807639 0.81 CA2 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL8321163 0.80 CA1 (0.43) CA1CA2CA7CYP2D6CTSK
SCHEMBL3212854 0.80 CTSK (0.53) CA1CA2CA7CYP2D6CTSK
SCHEMBL14778518 0.80 CTSK (0.53) CA1CA2CA7CYP2D6CTSK

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 18 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
US-8859538-B2 Uses of substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2014-10-14 US disclosed
US-8859812-B2 Compound reagents and method for synthesizing enantiomerically enriched amino acids PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-10-14 US disclosed
US-8859812-B2 Compound reagents and method for synthesizing enantiomerically enriched amino acids PRESIDENT AND FELLOWS OF HARVARD COLLEGE (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-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
US-20130066109-A1 COMPOUNDS AND RELATED METHODS OF USE PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2013-03-14 US disclosed
US-20130066109-A1 COMPOUNDS AND RELATED METHODS OF USE PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2013-03-14 US disclosed
US-20110034443-A1 USES OF SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2011-02-10 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-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-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
US-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2008-12-25 US disclosed
WO-2008157751-A2 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2008-12-24 WO 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 (4 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 CA1 2038/4885CA2 1096/4885CA7 1536/4885
US-20110034443-A1 USES OF SUBSTITUTED IMIDAZOHETEROCYCLES CNR2, CNR1, TRPV1 CA1 1241/4885CA2 343/4885CA7 708/4885
US-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 CA1 2038/4885CA2 1096/4885CA7 1536/4885
US-20130066109-A1 COMPOUNDS AND RELATED METHODS OF USE BCAT2, BCAT1, AADAT CA1 202/4885CA2 1667/4885CA7 169/4885

“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.