SCHEMBL3104780

SCHEMBL3104780

Cc1oc(-c2ccc(F)nc2)cc1C=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.39
CYP2A6 P11509 3/20 0.38
CYP2B6 P20813 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
SYK P43405 2/20 0.36
MAPT P10636 2/20 0.35
CYP2E1 P05181 1/20 0.34
MAOB P27338 3/20 0.34
CYP11B2 P19099 1/20 0.33
PDE10A Q9Y233 2/20 0.32
PDE2A O00408 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32

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
SCHEMBL3108897 0.85 PIK3CD (0.35) ERN1CYP2B6CYP3A4CYP2C19CYP2E1
SCHEMBL3103952 0.82 ERN1 (0.39) ERN1CYP2A6MAPTPDE10A
SCHEMBL3102009 0.81 ERN1 (0.53) ERN1CYP2A6MAPT
SCHEMBL3102505 0.80 KDM4E (0.50) MAOBESR1ESR2
SCHEMBL3089847 0.76 GABRP (0.46)
SCHEMBL3106911 0.75 CYP3A4 (0.55) ERN1CYP2A6CYP2B6CYP3A4CYP2C19
SCHEMBL3102125 0.73 CYP2A6 (0.41) CYP2A6CYP2B6CYP3A4CYP2C19SYK
SCHEMBL3100220 0.73 NPC1 (0.55) ERN1ESR1ESR2
SCHEMBL3101569 0.73 ESR1 (0.56) ERN1CYP3A4CYP2C19MAPTMAOB
SCHEMBL3099337 0.73 ERN1 (0.44) ERN1CYP3A4CYP2C19ESR1ESR2

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 ERN1 1620/4885CYP2A6 1330/4885CYP2B6 1215/4885

“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.