SCHEMBL7587748

SCHEMBL7587748

CC1CN(c2ncc(C(F)(F)F)cn2)CCC1n1ncc(COc2ccc(-n3cnnn3)nc2)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.38
KCNH2 Q12809 3/20 0.35
EIF2AK4 Q9P2K8 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KCNJ1 P48048 2/20 0.32
SCD O00767 1/20 0.32
ACACB O00763 4/20 0.31

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
SCHEMBL3692717 1.00 GPR119 (0.38) GPR119KCNH2EIF2AK4KMT2ACHRM2
SCHEMBL7592847 0.90 GPR119 (0.42) GPR119KCNH2KMT2AKCNJ1ACACB
SCHEMBL3687098 0.90 GPR119 (0.42) GPR119KCNH2KMT2AKCNJ1ACACB
SCHEMBL7587789 0.90 GPR119 (0.40) GPR119KCNH2KMT2ACHRM2CHRM1
SCHEMBL3691202 0.90 GPR119 (0.40) GPR119KCNH2KMT2ACHRM2CHRM1
SCHEMBL3685203 0.89 GPR119 (0.49) GPR119KCNH2KCNJ1ACACB
SCHEMBL7589821 0.89 GPR119 (0.49) GPR119KCNH2KCNJ1ACACB
SCHEMBL3686890 0.88 GPR119 (0.42) GPR119KCNH2KCNJ1
SCHEMBL3689340 0.83 KDM4E (0.39) GPR119KCNH2KMT2AHRH3
SCHEMBL3695234 0.82 GPR119 (0.34) GPR119KCNH2KCNJ1

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 4 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-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
WO-2009014910-A2 N-AZACYCLIC SUBSTITUTED PYRROLE, PYRAZOLE, IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES AS AGONISTS OF THE RUP3 OR GPR119 RECEPTOR FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX, INC. (US) 2009-01-29 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 (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-20090137590-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS GPR119, INSR, GLP1R GPR119 1/4885KCNH2 1920/4885EIF2AK4 1642/4885

“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.