SCHEMBL3090571

SCHEMBL3090571

Cc1oc(-c2ccccn2)cc1C(Oc1ccc(C(=O)N(C)CCC(=O)O)cc1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GCG P01275 2/20 0.36
EPHX2 P34913 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4A P27815 1/20 0.34
SLC6A9 P48067 2/20 0.34
SLC6A5 Q9Y345 1/20 0.34
ALOX5 P09917 4/20 0.34
GCGR P47871 2/20 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
SCHEMBL13093863 0.89 KDM4E (0.40) NPC1KDM4EGCGMEN1KMT2A
SCHEMBL3094534 0.87 GCG (0.50) NPC1GCGGCGR
SCHEMBL3099764 0.87 ROCK2 (0.35) NPC1KDM4EGCGEPHX2SLC6A9
SCHEMBL3095027 0.86 ALDH1A1 (0.40) KDM4EGCGMEN1KMT2ASLC6A9
SCHEMBL3113065 0.86 PDE4A (0.39) NPC1KDM4ETRPM8KMT2APDE4A
SCHEMBL3110676 0.85 AKR1C3 (0.40) KDM4EGCGEPHX2SLC6A9GCGR
SCHEMBL3099916 0.85 RCE1 (0.41) NPC1CYP4F2CYP4A11GCGEPHX2
SCHEMBL3098734 0.85 KDM4E (0.39) NPC1KDM4EGCGMEN1KMT2A
SCHEMBL3098670 0.84 KDM4E (0.39) NPC1KDM4ETRPM8PDE4A
SCHEMBL3091354 0.84 MAPT (0.40) NPC1KDM4ESLC6A9

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 10 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
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 NPC1 3994/4885CYP4F2 1949/4885CYP4A11 337/4885

“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.