SCHEMBL3101693

SCHEMBL3101693

Cc1oc(-c2ccnc(Cl)c2)cc1C(CC(C)C)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.40
NPC1 O15118 2/20 0.39
GAA P10253 1/20 0.39
GCG P01275 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
RCE1 Q9Y256 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
MAPK14 Q16539 1/20 0.33
POLB P06746 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
CIT O14578 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
CCNC P24863 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
SCHEMBL3109693 0.88 GCG (0.49) GCG
SCHEMBL3106989 0.88 NPC1 (0.39) NPC1GAAMEN1KMT2ARAB9A
SCHEMBL3102557 0.87 GCG (0.37) AAK1NPC1GAAGCG
SCHEMBL3112858 0.85 NPC1 (0.46) NPC1GAAMEN1KMT2AALDH1A1
SCHEMBL3107126 0.85 ALDH1A1 (0.47) NPC1GAAMEN1KMT2AALDH1A1
SCHEMBL3101932 0.84 NPC1 (0.39) NPC1GAAMEN1KMT2AALDH1A1
SCHEMBL3099266 0.82 ALDH1A1 (0.40) NPC1GAAMEN1KMT2AALDH1A1
SCHEMBL3101751 0.80 AAK1 (0.40) AAK1NPC1GAAGCGMEN1
SCHEMBL3102029 0.80 PPARD (0.45) NPC1GAAMEN1KMT2AALDH1A1
SCHEMBL3100060 0.80 PPARD (0.41) NPC1GAAGCGMAPK1

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 AAK1 3786/4885NPC1 3994/4885GAA 2233/4885

“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.