SCHEMBL3100536

SCHEMBL3100536

CCc1sc(-c2ccc(C(F)(F)F)cc2)cc1C(O)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.42
IDO1 P14902 3/20 0.38
TDO2 P48775 3/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
PAX8 Q06710 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TRPV3 Q8NET8 2/20 0.35
TRPV1 Q8NER1 2/20 0.35
CDK2AP1 O14519 1/20 0.35
CHEK1 O14757 1/20 0.35
MGLL Q99685 1/20 0.34
MCHR1 Q99705 1/20 0.34
EPHX1 P07099 2/20 0.34
HSD17B2 P37059 1/20 0.34
KCNH2 Q12809 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
SCHEMBL3102210 0.86 KCNH2 (0.33) TRPV3TRPV1CDK2AP1CHEK1MGLL
SCHEMBL3105161 0.85 PDE2A (0.45) PDE2AIDO1TDO2MEN1GAA
SCHEMBL3091283 0.78 RCE1 (0.41) MGLLMCHR1MAPK11MAPK14
SCHEMBL3099329 0.78 PDE2A (0.39) PDE2AIDO1TDO2MEN1GAA
SCHEMBL3110237 0.75 PDE2A (0.42) PDE2AMEN1GAAMAPTMAPK1
SCHEMBL3102340 0.73 GCGR (0.51)
SCHEMBL3101706 0.73 GABBR2 (0.37) MEN1GAAMAPTMAPK1KMT2A
SCHEMBL3095430 0.72 IDO1 (0.45) IDO1TDO2
SCHEMBL3101491 0.72 IDO1 (0.45) IDO1TDO2
SCHEMBL3109809 0.71 PDE2A (0.45) PDE2AMEN1GAAMAPTMAPK1

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 PDE2A 1858/4885IDO1 1206/4885TDO2 1785/4885

“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.