SCHEMBL3106989

SCHEMBL3106989

Cc1oc(-c2ccc(Cl)nc2)cc1C(CC(C)C)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
GAA P10253 1/20 0.39
NAPRT Q6XQN6 1/20 0.36
F11 P03951 1/20 0.36
KCNQ3 O43525 7/20 0.36
KCNQ2 O43526 7/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNE1 P15382 2/20 0.35
KCNQ1 P51787 2/20 0.35
NR1H4 Q96RI1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
GCGR P47871 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
SCHEMBL3101436 0.88 GCG (0.49) GCGR
SCHEMBL3101693 0.88 AAK1 (0.40) NPC1GAAMEN1KMT2ARAB9A
SCHEMBL3110211 0.87 GCG (0.38) KCNQ3KCNQ2MEN1MAPTKMT2A
SCHEMBL3101932 0.85 NPC1 (0.39) NPC1GAAF11MEN1MAPT
SCHEMBL3107126 0.84 ALDH1A1 (0.47) NPC1GAAMEN1MAPTKMT2A
SCHEMBL3112858 0.83 NPC1 (0.46) NPC1GAAMEN1MAPTKMT2A
SCHEMBL3100060 0.81 PPARD (0.41) NPC1GAAGCGRRXRA
SCHEMBL3099266 0.81 ALDH1A1 (0.40) NPC1GAAMEN1MAPTKMT2A
SCHEMBL3109992 0.80 MKNK1 (0.38) NPC1GAAMAPTSMN1; SMN2KDM4E
SCHEMBL3099730 0.79 GCG (0.50) GCGR

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 NPC1 3994/4885GAA 2233/4885NAPRT 2330/4885

“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.