SCHEMBL15057412

SCHEMBL15057412

COC(=O)C[C@H]1CC[C@H](c2ccc(-c3ccc(-c4nc(-c5ccccc5)c[nH]4)cn3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 19/20 0.60
ADORA2A P29274 3/20 0.43
KCNH2 Q12809 2/20 0.43

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
SCHEMBL15057413 1.00 DGAT1 (0.60) DGAT1ADORA2AKCNH2
SCHEMBL16787660 0.89 DGAT1 (0.52) DGAT1ADORA2AKCNH2
SCHEMBL15058508 0.89 DGAT1 (0.61) DGAT1ADORA2AKCNH2
SCHEMBL15058509 0.89 DGAT1 (0.61) DGAT1ADORA2AKCNH2
SCHEMBL16790068 0.85 DGAT1 (0.57) DGAT1ADORA2AKCNH2
SCHEMBL10188659 0.80 DGAT1 (0.56) DGAT1
SCHEMBL898526 0.79 DGAT1 (0.54) DGAT1
SCHEMBL15054761 0.79 DGAT1 (0.54) DGAT1
SCHEMBL180599 0.79 DGAT1 (0.54) DGAT1
SCHEMBL180547 0.79 DGAT1 (0.54) 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 7 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-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
WO-2013096093-A1 COMPOUNDS AS DGAT-1 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-27 WO disclosed
WO-2013096093-A1 COMPOUNDS AS DGAT-1 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-27 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-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 DGAT1 1688/4885ADORA2A 3535/4885KCNH2 408/4885
US-10308636-B2 Aromatic heterocyclic compound GPR119, NR0B1, BET1 DGAT1 1688/4885ADORA2A 3535/4885KCNH2 408/4885
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 DGAT1 1688/4885ADORA2A 3535/4885KCNH2 408/4885

“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.