SCHEMBL3107019

SCHEMBL3107019

Cc1ccc(-c2cc(C(Nc3ccc(C(=O)N(C)CCC(=O)O)cc3)C3CCCCC3)c(C)o2)nn1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.35
AKR1C3 P42330 1/20 0.33
GCG P01275 9/20 0.32
HPGD P15428 1/20 0.32
EPHX2 P34913 1/20 0.32
TEAD4 Q15561 1/20 0.32
BMP1 P13497 1/20 0.31
OPRK1 P41145 1/20 0.31
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL3107670 0.92 RCE1 (0.34) RCE1AKR1C3GCGEPHX2TEAD4
SCHEMBL3102733 0.87 GCG (0.35) RCE1GCGHPGDEPHX2
SCHEMBL3099916 0.87 RCE1 (0.41) RCE1GCGEPHX2TEAD4HDAC6
SCHEMBL13094229 0.87 HPGD (0.39) RCE1AKR1C3GCGHPGDEPHX2
SCHEMBL3101983 0.86 GCG (0.45) GCG
SCHEMBL13093864 0.86 ALDH1A1 (0.41) RCE1GCGHPGDTEAD4HDAC6
SCHEMBL3101825 0.86 MMP13 (0.40) RCE1AKR1C3GCGHPGDEPHX2
SCHEMBL3109932 0.85 RCE1 (0.38) RCE1AKR1C3GCGEPHX2TEAD4
SCHEMBL3102136 0.85 ALDH1A1 (0.41) RCE1GCGHPGDTEAD4HDAC6
SCHEMBL3107529 0.85 GCG (0.41) RCE1AKR1C3GCGEPHX2

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 RCE1 3126/4885AKR1C3 515/4885GCG 11/4885

“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.