SCHEMBL4281963

SCHEMBL4281963

CCc1cnc(N2CC[C@H](O)[C@H](F)C2)nc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 1/20 0.40
EGFR P00533 5/20 0.39
AOC3 Q16853 3/20 0.38
GPR119 Q8TDV5 8/20 0.37
OPRK1 P41145 1/20 0.36
OGA O60502 1/20 0.35
ACACB O00763 1/20 0.35

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
SCHEMBL4281954 1.00 PDE8B (0.40) PDE8BEGFRAOC3GPR119OPRK1
SCHEMBL4281951 1.00 PDE8B (0.40) PDE8BEGFRAOC3GPR119OPRK1
SCHEMBL15312801 0.82 AOC3 (0.49) PDE8BAOC3GPR119OGAACACB
SCHEMBL12506042 0.82 AOC3 (0.49) PDE8BAOC3GPR119OGAACACB
SCHEMBL12503204 0.79 HRH4 (0.47) PDE8BAOC3GPR119OGA
SCHEMBL12491557 0.79 OPRK1 (0.45) PDE8BGPR119OPRK1
SCHEMBL12491852 0.79 OPRK1 (0.45) PDE8BGPR119OPRK1
SCHEMBL12491561 0.79 OPRK1 (0.45) PDE8BGPR119OPRK1
SCHEMBL357797 0.79 AOC3 (0.44) AOC3GPR119OGA
Hydrochloric Acid SCHEMBL30738681 0.77 KDM4E (0.46) EGFRGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185544-B1 N-AZACYCLIC SUBSTITUTED PYRROLE, PYRAZOLE, IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES AS AGONISTS OF THE RUP3 OR GPR119 FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS CYMABAY THERAPEUTICS INC (US) 2014-11-26 EP disclosed
US-8846675-B2 N-linked heterocyclic receptor agonists for the treatment of diabetes and metabolic disorders CYMABAY THERAPEUTICS, INC. (US) 2014-09-30 US disclosed
US-20120322804-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX INC. 2012-12-20 US disclosed
US-8183381-B2 N-linked heterocyclic receptor agonists for the treatment of diabetes and metabolic disorders METABOLEX INC. (US) 2012-05-22 US disclosed
US-20090137590-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX INC. 2009-05-28 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 (2 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-20090137590-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS GPR119, INSR, GLP1R PDE8B 861/4885EGFR 1086/4885AOC3 2013/4885
US-20120322804-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS GPR119, INSR, GLP1R PDE8B 861/4885EGFR 1086/4885AOC3 2013/4885

“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.