SCHEMBL121001

SCHEMBL121001

CC(C)c1nc(N2CCC(CCCOc3cnc(Cl)nc3)CC2)no1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.45
KCNH2 Q12809 1/20 0.40
CNR2 P34972 3/20 0.37
ACACB O00763 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ACACA Q13085 1/20 0.33
GPR183 P32249 1/20 0.33
POLB P06746 1/20 0.32
FAAH O00519 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL462581 0.88 GPR119 (0.49) GPR119KCNH2CNR2ACACBGPR183
SCHEMBL120996 0.81 GPR119 (0.52) GPR119KCNH2CNR2MEN1KMT2A
SCHEMBL2371485 0.80 GPR119 (0.56) GPR119GPR183
SCHEMBL2371600 0.80 GPR119 (0.44) GPR119ACACBACACAGPR183
SCHEMBL121187 0.77 GPR119 (0.49) GPR119KCNH2ACACBHRH3
SCHEMBL150107 0.77 CYP11B2 (0.42) GPR119KCNH2CNR2FAAH
SCHEMBL120063 0.77 DPP4 (0.41) GPR119KCNH2
SCHEMBL17712623 0.77 GPR119 (0.36) GPR119KCNH2CNR2HRH3
SCHEMBL2559912 0.77 GPR119 (0.40) GPR119ACACBACACA
SCHEMBL2372231 0.77 GPR119 (0.45) GPR119ACACBACACAGPR183

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059014-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-08 US disclosed
US-20120059014-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-08 US disclosed
US-20120059014-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-08 US disclosed
EP-2406251-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2012-01-18 EP disclosed
WO-2011128394-A1 3-SUBSTITUTED 5-(PYRROLIDINE-1-CARBONYL) PYRROLIDINE AND ITS DERIVATIVES FOR USE IN THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2011-10-20 WO disclosed
WO-2011128394-A1 3-SUBSTITUTED 5-(PYRROLIDINE-1-CARBONYL) PYRROLIDINE AND ITS DERIVATIVES FOR USE IN THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2011-10-20 WO disclosed
WO-2010103334-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 WO disclosed
WO-2010103334-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 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-20120059014-A1 Compounds for the Treatment of Metabolic Disorders GPR119, FFAR2, GPBAR1 GPR119 1/4885KCNH2 2010/4885CNR2 212/4885

“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.