SCHEMBL3098613

SCHEMBL3098613

Cc1oc(-c2ccc(OCCC(C)(C)O)nc2)cc1C(Nc1ccc(C(=O)N(C)CCC(=O)O)cc1)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 5/20 0.33
GCG P01275 6/20 0.32
DGAT1 O75907 1/20 0.32
HPGD P15428 1/20 0.32
RCE1 Q9Y256 1/20 0.32
PIK3CD O00329 2/20 0.32
PIK3CA P42336 2/20 0.32
PIK3CB P42338 2/20 0.32
MTOR P42345 2/20 0.32
PIK3CG P48736 2/20 0.32
PRKDC P78527 2/20 0.32
KCNH2 Q12809 2/20 0.32
GABRA5 P31644 1/20 0.31
PTGS2 P35354 1/20 0.31
EPHX2 P34913 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 0.91 DGAT1 (0.38) ATMGCGDGAT1HPGDRCE1
SCHEMBL3098655 0.90 ATM (0.33) ATMGCGDGAT1HPGDRCE1
SCHEMBL3095176 0.90 PTGS2 (0.39) GCGDGAT1HPGDRCE1PTGS2
SCHEMBL3102524 0.90 RCE1 (0.40) ATMDGAT1RCE1GABRA5
SCHEMBL3107116 0.89 GCG (0.44) GCG
SCHEMBL13094229 0.87 HPGD (0.39) GCGDGAT1HPGDRCE1PTGS2
SCHEMBL3100234 0.86 ATM (0.32) ATMRCE1PRKDC
SCHEMBL3101718 0.85 PTGS2 (0.37) GCGDGAT1HPGDRCE1PTGS2
SCHEMBL3095180 0.83 HDAC6 (0.35) DGAT1HPGDRCE1PIK3CAMTOR
SCHEMBL13093864 0.82 ALDH1A1 (0.41) GCGDGAT1HPGDRCE1

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 ATM 4285/4885GCG 11/4885DGAT1 3411/4885

“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.