SCHEMBL2548353

SCHEMBL2548353

CC(C)(C)OC(=O)N1CCC(Oc2cnc(Br)cn2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 16/20 0.65
CACNB4 O00305 1/20 0.46
CACNA1A O00555 1/20 0.46
CACNA1G O43497 1/20 0.46
CACNG3 O60359 1/20 0.46
CACNA1F O60840 1/20 0.46
CACNA1H O95180 1/20 0.46
CACNB3 P54284 1/20 0.46
CACNA2D1 P54289 1/20 0.46
CACNG7 P62955 1/20 0.46
CACNA1B Q00975 1/20 0.46
CACNA1D Q01668 1/20 0.46
CACNB1 Q02641 1/20 0.46
CACNG1 Q06432 1/20 0.46
CACNB2 Q08289 1/20 0.46
CACNA1S Q13698 1/20 0.46
CACNA1C Q13936 1/20 0.46
CACNA1E Q15878 1/20 0.46
CACNA2D4 Q7Z3S7 1/20 0.46
CACNA2D3 Q8IZS8 1/20 0.46

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
SCHEMBL30201903 1.00 GPR119 (0.65) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL14634697 0.95 GPR119 (0.72) GPR119
SCHEMBL14634698 0.95 GPR119 (0.72) GPR119
SCHEMBL29756681 0.93 GPR119 (0.57) GPR119
SCHEMBL20179635 0.93 GPR119 (0.57) GPR119
SCHEMBL26180089 0.93 GPR119 (0.57) GPR119
SCHEMBL20137797 0.90 GPR119 (0.67) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL23311669 0.88 GPR119 (0.67) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL12198294 0.88 GPR119 (0.50) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL5267887 0.85 GPR119 (0.68) GPR119CACNB4CACNA1ACACNA1GCACNG3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575168-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2013-11-05 US disclosed
EP-1642898-B1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD KK (JP) 2013-03-27 EP disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20110245220-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-10-06 US disclosed
WO-2011044001-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-04-14 WO disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 GPR119 7/4885CACNB4 2652/4885CACNA1A 936/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 GPR119 4/4885CACNB4 3907/4885CACNA1A 1488/4885
US-20110245220-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 GPR119 1/4885CACNB4 1300/4885CACNA1A 1091/4885

“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.