SCHEMBL3095647

SCHEMBL3095647

COCCOc1ccc(-c2cc(C(Nc3ccc(C(=O)N(C)CCC(=O)O)cc3)C3CCCCC3)c(C)o2)cn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.38
ATR Q13535 1/20 0.34
ATM Q13315 3/20 0.34
GABRA5 P31644 2/20 0.34
GCG P01275 2/20 0.33
HPGD P15428 1/20 0.33
PTGS2 P35354 1/20 0.33
RCE1 Q9Y256 1/20 0.33
NAMPT P43490 2/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL3095176 0.93 PTGS2 (0.39) DGAT1GCGHPGDPTGS2RCE1
SCHEMBL3098655 0.92 ATM (0.33) DGAT1ATMGABRA5GCGHPGD
SCHEMBL3098613 0.91 ATM (0.33) DGAT1ATMGABRA5GCGHPGD
SCHEMBL3099614 0.89 RCE1 (0.42) DGAT1GABRA5RCE1
SCHEMBL3101315 0.89 GCG (0.44) GCG
SCHEMBL13094229 0.88 HPGD (0.39) DGAT1GCGHPGDPTGS2RCE1
SCHEMBL3100234 0.88 ATM (0.32) ATMRCE1MCHR1
SCHEMBL3101718 0.87 PTGS2 (0.37) DGAT1GCGHPGDPTGS2RCE1
SCHEMBL3095180 0.86 HDAC6 (0.35) DGAT1HPGDPTGS2RCE1MCHR1
SCHEMBL3098604 0.85 PTGS2 (0.36) ATRGCGPTGS2RCE1MCHR1

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
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 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 (1 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR DGAT1 3411/4885ATR 2629/4885ATM 4285/4885

“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.