SCHEMBL3109809

SCHEMBL3109809

Cc1oc(-c2ccc(C(F)(F)F)cc2)cc1C(O)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.45
TRPV1 Q8NER1 4/20 0.41
GABBR2 O75899 3/20 0.37
GABBR1 Q9UBS5 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
PAX8 Q06710 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
AR P10275 1/20 0.35
BRD4 O60885 1/20 0.35
TRPV3 Q8NET8 2/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL3106796 0.86 NPC1 (0.40) PDE2AMEN1KMT2AMAPTMAPK1
SCHEMBL3110167 0.86 PDE2A (0.43) PDE2ATRPV1GABBR2GABBR1MEN1
SCHEMBL3111672 0.85 TRPV1 (0.39) TRPV1GABBR2GABBR1MEN1KMT2A
SCHEMBL3110237 0.85 PDE2A (0.42) PDE2ATRPV1GABBR2GABBR1MEN1
SCHEMBL3098878 0.85 SCN10A (0.40) TRPV1GABBR2GABBR1NPSR1
SCHEMBL3095713 0.84 NPC1 (0.45) MAPTATMBRD4HTTSMN1; SMN2
SCHEMBL3109648 0.84 BRD4 (0.39) MEN1KMT2ABRD4CYP1A2CYP3A4
SCHEMBL3113043 0.83 ALDH1A1 (0.39) MEN1KMT2AMAPTBRD4LMNA
SCHEMBL3100162 0.83 TRPV1 (0.41) PDE2ATRPV1GABBR2GABBR1MEN1
SCHEMBL3109799 0.83 PDE2A (0.41) PDE2AGABBR2GABBR1NPSR1BRD4

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 1858/4885TRPV1 2757/4885GABBR2 836/4885

“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.