SCHEMBL4101509

SCHEMBL4101509

CC(C)(C)OC(=O)N1CCC(OCc2noc(-c3ccc4nc(N)sc4c3)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.53
GPR119 Q8TDV5 7/20 0.49
CETP P11597 2/20 0.41
CHEK2 O96017 3/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TBK1 Q9UHD2 2/20 0.40
LIPC P11150 1/20 0.39
IKBKE Q14164 1/20 0.39
BRD4 O60885 1/20 0.38

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
SCHEMBL13693039 0.91 GPR119 (0.49) PIK3CAGPR119CETPCHEK2TBK1
SCHEMBL4111925 0.86 GPR119 (0.49) GPR119CETPCHEK2TBK1IKBKE
SCHEMBL13602338 0.84 GPR119 (0.56) PIK3CAGPR119CETPCHEK2
SCHEMBL13602326 0.83 GPR119 (0.51) GPR119CETPCHEK2TBK1
SCHEMBL14640891 0.83 GPR119 (0.53) GPR119CETPCHEK2TBK1
SCHEMBL13602311 0.83 GPR119 (0.51) PIK3CAGPR119CETPCHEK2
SCHEMBL4102957 0.82 GPR119 (0.56) GPR119CETPTBK1IKBKE
SCHEMBL12548315 0.82 GPR119 (0.57) GPR119CETP
SCHEMBL4412797 0.81 GPR119 (0.57) GPR119CETPCHEK2
SCHEMBL4418527 0.81 GPR119 (0.58) GPR119CETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221644-A1 Gpcr Agonists PROSIDION LIMITED (GB) 2009-09-03 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 (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-20090221644-A1 Gpcr Agonists GPR119, GCGR, GPR27 PIK3CA 1869/4885GPR119 1/4885CETP 1002/4885

“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.