SCHEMBL16660876

SCHEMBL16660876

CCOc1nc(-c2ccc(-c3ccc(OCc4ccccc4)nc3)cc2)nn1COCC[Si](C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 10/20 0.60
LOXL2 Q9Y4K0 1/20 0.37
PKM P14618 1/20 0.35
FFAR1 O14842 1/20 0.34
JAK3 P52333 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
HDAC1 Q13547 1/20 0.33
PDE9A O76083 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
CYP19A1 P11511 1/20 0.32
GRM2 Q14416 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
SCHEMBL16790081 0.88 DGAT1 (0.47) DGAT1LOXL2PKMFFAR1JAK3
SCHEMBL16660873 0.83 DGAT1 (0.44) DGAT1LOXL2PKMFFAR1JAK3
SCHEMBL16787869 0.82 DGAT1 (0.62) DGAT1
SCHEMBL16660877 0.81 DGAT1 (0.61) DGAT1
SCHEMBL16661182 0.81 DGAT1 (0.59) DGAT1
SCHEMBL16661015 0.77 DGAT1 (0.56) DGAT1
SCHEMBL16660990 0.75 DGAT1 (1.00) DGAT1
SCHEMBL16787895 0.72 DGAT1 (0.43) DGAT1
SCHEMBL16661189 0.70 DGAT1 (0.88) DGAT1
SCHEMBL16661191 0.70 DGAT1 (0.82) DGAT1

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-10308636-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-04 US disclosed
EP-2862856-B1 IMIDAZOLE AND TRIAZOLE COMPOUNDS AS DGAT-1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2018-08-01 EP disclosed
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 US disclosed
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 US disclosed
US-9546155-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-17 US disclosed
US-9546155-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-17 US disclosed
US-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-11 US disclosed
US-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-11 US disclosed
EP-2862856-A1 AROMATIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2015-04-22 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-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 DGAT1 1688/4885LOXL2 619/4885PKM 4064/4885
US-10308636-B2 Aromatic heterocyclic compound GPR119, NR0B1, BET1 DGAT1 1688/4885LOXL2 619/4885PKM 4064/4885
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 DGAT1 1688/4885LOXL2 619/4885PKM 4064/4885

“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.