SCHEMBL3138690

SCHEMBL3138690

COCOc1ccc(C2(O)CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.46
DRD2 P14416 2/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
MMP13 P45452 2/20 0.43
ADAM17 P78536 2/20 0.43
CTSD P07339 1/20 0.42
CTSE P14091 1/20 0.42
BACE1 P56817 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6802425 0.86 ALDH1A1 (0.55) GPR119DRD2OPRD1OPRK1CTSD
SCHEMBL15019539 0.83 GPR119 (0.52) GPR119DRD2ALDH1A1
SCHEMBL4672807 0.83 OPRD1 (0.53) GPR119OPRD1OPRK1MMP13ADAM17
SCHEMBL6538473 0.83 GPR119 (0.52) GPR119DRD2ALDH1A1
SCHEMBL6159582 0.82 LMNA (0.49) GPR119DRD2OPRD1OPRK1CTSD
SCHEMBL16874679 0.82 ALDH1A1 (0.51) GPR119OPRD1OPRK1MMP13CTSD
SCHEMBL5717335 0.82 GPR119 (0.49) GPR119DRD2
SCHEMBL11956931 0.81 GPR119 (0.53) GPR119DRD2OPRD1OPRK1
SCHEMBL18432250 0.81 ESR2 (0.48) GPR119DRD2OPRD1OPRK1ALDH1A1
SCHEMBL3396946 0.81 GPR119 (0.54) GPR119DRD2CTSDCTSEBACE1

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-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 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 (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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 GPR119 1361/4885DRD2 189/4885OPRD1 101/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 GPR119 969/4885DRD2 836/4885OPRD1 152/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 GPR119 727/4885DRD2 1486/4885OPRD1 519/4885

“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.