SCHEMBL16660897

SCHEMBL16660897

COC(=O)CC1CCC(c2ccc(O)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.43
DEGS1 O15121 8/20 0.40
MIF P14174 4/20 0.40
HDAC6 Q9UBN7 1/20 0.40
DGAT1 O75907 3/20 0.39
CCR2 P41597 1/20 0.36
KCNH2 Q12809 1/20 0.36
IDO1 P14902 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL16053525 0.85 DGAT1 (0.42) DRD4DGAT1CCR2KCNH2IDO1
SCHEMBL13009522 0.85 DGAT1 (0.42) DRD4DGAT1CCR2KCNH2IDO1
SCHEMBL14199021 0.80 DGAT1 (0.40) DGAT1IDO1
SCHEMBL13009528 0.80 DGAT1 (0.40) DGAT1IDO1
SCHEMBL3540783 0.80 DGAT1 (0.40) DGAT1IDO1
SCHEMBL3540778 0.80 DGAT1 (0.40) DGAT1IDO1
SCHEMBL382897 0.79 ESR2 (0.56) MIFHDAC6DGAT1
SCHEMBL382898 0.79 ESR2 (0.56) MIFHDAC6DGAT1
SCHEMBL17327330 0.79 ESR2 (0.56) MIFHDAC6DGAT1
SCHEMBL13009517 0.78 KDM4E (0.38) DGAT1IDO1

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 6 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
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 DRD4 1411/4885DEGS1 2573/4885MIF 4399/4885
US-10308636-B2 Aromatic heterocyclic compound GPR119, NR0B1, BET1 DRD4 1411/4885DEGS1 2573/4885MIF 4399/4885
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 DRD4 1411/4885DEGS1 2573/4885MIF 4399/4885

“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.