SCHEMBL3101072

SCHEMBL3101072

Cc1oc(-c2cccnc2)cc1C(Nc1ccc(C(=O)N(C)CCC(=O)O)cc1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.41
RCE1 Q9Y256 1/20 0.39
PTGES O14684 2/20 0.37
GCG P01275 1/20 0.37
MMP13 P45452 1/20 0.36
EPHX2 P34913 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
DGAT1 O75907 1/20 0.34
HDAC6 Q9UBN7 2/20 0.34
CDK2 P24941 2/20 0.34
GSK3B P49841 2/20 0.34
NAMPT P43490 3/20 0.34
PAX8 Q06710 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 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
SCHEMBL13093864 0.91 ALDH1A1 (0.41) RCE1GCGDGAT1HDAC6NAMPT
SCHEMBL3109932 0.91 RCE1 (0.38) AKR1C3RCE1PTGESGCGMMP13
SCHEMBL3102136 0.90 ALDH1A1 (0.41) RCE1GCGTRPV4DGAT1HDAC6
SCHEMBL13094219 0.90 PTGS2 (0.37) AKR1C3RCE1PTGESGCG
SCHEMBL13094229 0.90 HPGD (0.39) AKR1C3RCE1PTGESGCGEPHX2
SCHEMBL3109311 0.89 ALDH1A1 (0.41) RCE1GCGTRPV4DGAT1HDAC6
SCHEMBL3101066 0.87 AKR1C3 (0.43) AKR1C3RCE1DGAT1ALDH1A1MAPT
SCHEMBL3101718 0.87 PTGS2 (0.37) AKR1C3RCE1GCGDGAT1
SCHEMBL3095474 0.87 RCE1 (0.51) RCE1MMP13CDK2GSK3BNAMPT
SCHEMBL3110100 0.87 GCG (0.46) RCE1GCGMMP13NAMPT

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 AKR1C3 515/4885RCE1 3126/4885PTGES 3568/4885

“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.