SCHEMBL3098655

SCHEMBL3098655

CSCCOc1ccc(-c2cc(C(Nc3ccc(C(=O)N(C)CCC(=O)O)cc3)C3CCCCC3)c(C)o2)cn1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 5/20 0.33
DGAT1 O75907 1/20 0.33
RCE1 Q9Y256 1/20 0.32
GABRA5 P31644 2/20 0.32
GCG P01275 4/20 0.31
HPGD P15428 1/20 0.31
PTGS2 P35354 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31
PRKDC P78527 1/20 0.31
KCNH2 Q12809 1/20 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
SCHEMBL3095647 0.92 DGAT1 (0.38) ATMDGAT1RCE1GABRA5GCG
SCHEMBL13094285 0.90 SLC6A9 (0.34) DGAT1RCE1HPGD
SCHEMBL3095176 0.90 PTGS2 (0.39) DGAT1RCE1GCGHPGDPTGS2
SCHEMBL3098613 0.90 ATM (0.33) ATMDGAT1RCE1GABRA5GCG
SCHEMBL3101482 0.88 GCG (0.43) GCG
SCHEMBL3100234 0.88 ATM (0.32) ATMRCE1PRKDC
SCHEMBL13094229 0.87 HPGD (0.39) DGAT1RCE1GCGHPGDPTGS2
SCHEMBL3101718 0.86 PTGS2 (0.37) DGAT1RCE1GCGHPGDPTGS2
SCHEMBL3095180 0.84 HDAC6 (0.35) DGAT1RCE1HPGDPTGS2PIK3CA
SCHEMBL13093864 0.82 ALDH1A1 (0.41) DGAT1RCE1GCGHPGD

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 4 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
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
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 ATM 4285/4885DGAT1 3411/4885RCE1 3126/4885

“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.