SCHEMBL16660891

SCHEMBL16660891

CCOc1n[nH]c(-c2ccc(-c3ccc(C4=CCC(CC(=O)OC)CC4)nc3)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 5/20 0.39
CDK9 P50750 5/20 0.39
PDE5A O76074 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
DGAT1 O75907 9/20 0.35
KCNH2 Q12809 4/20 0.33
ADORA2A P29274 3/20 0.33
FLT3 P36888 1/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 1/20 0.33
GAS6 Q14393 1/20 0.33
SOAT1 P35610 1/20 0.32
CHKA P35790 1/20 0.31
FASN P49327 2/20 0.31

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
SCHEMBL16787867 0.81 IDO1 (0.39) DGAT1KCNH2ADORA2ACHKAFASN
SCHEMBL16660899 0.76 DGAT1 (0.45) CCNT1CDK9PDE5AHDAC1HDAC6
SCHEMBL20428590 0.75 DGAT1 (0.46) CCNT1CDK9PDE5AHDAC1HDAC6
SCHEMBL16660904 0.73 DGAT1 (0.55) CCNT1CDK9PDE5AHDAC1HDAC6
SCHEMBL16649004 0.72 DGAT1 (0.41) DGAT1KCNH2ADORA2ASOAT1
SCHEMBL16052990 0.71 SMN1; SMN2 (0.42) CCNT1CDK9
SCHEMBL18552839 0.69 CCNT1 (0.33) CCNT1CDK9PDE5AHDAC1HDAC6
SCHEMBL15057400 0.69 CCNT1 (0.44) CCNT1CDK9PDE5AHDAC1HDAC6
SCHEMBL16661166 0.68 DGAT1 (0.69) DGAT1KCNH2SOAT1
SCHEMBL15055526 0.67 CCNT1 (0.47) CCNT1CDK9HDAC6

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 CCNT1 1985/4885CDK9 4302/4885PDE5A 3716/4885
US-10308636-B2 Aromatic heterocyclic compound GPR119, NR0B1, BET1 CCNT1 1985/4885CDK9 4302/4885PDE5A 3716/4885
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 CCNT1 1985/4885CDK9 4302/4885PDE5A 3716/4885

“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.