SCHEMBL3089847

SCHEMBL3089847

Cc1oc(-c2cccc(F)c2)cc1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 4/20 0.46
GABRD O14764 4/20 0.46
GABRA1 P14867 4/20 0.46
GABRB1 P18505 4/20 0.46
GABRG2 P18507 4/20 0.46
GABRB3 P28472 4/20 0.46
GABRA5 P31644 4/20 0.46
GABRA3 P34903 4/20 0.46
GABRA2 P47869 4/20 0.46
GABRB2 P47870 4/20 0.46
GABRA4 P48169 4/20 0.46
GABRE P78334 4/20 0.46
GABRA6 Q16445 4/20 0.46
GABRG1 Q8N1C3 4/20 0.46
GABRG3 Q99928 4/20 0.46
GABRQ Q9UN88 4/20 0.46
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
SLC9A1 P19634 2/20 0.44

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
SCHEMBL3102505 0.82 KDM4E (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3104199 0.82 DDAH1 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3104507 0.81 SLC9A1 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3091522 0.80 ALDH1A1 (0.52) SLC9A1CYP1A1CYP1A2CYP1B1PRKDC
SCHEMBL13791100 0.76 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3104780 0.76 ERN1 (0.39)
SCHEMBL3104478 0.75 PDE4B (0.40) SLC9A1ACHEPDE4B
SCHEMBL3095434 0.75 SLC9A1 (0.36) SLC9A1
SCHEMBL3106966 0.75 ERN1 (0.59) PRKDC
SCHEMBL3106911 0.74 CYP3A4 (0.55) CYP1A1CYP1A2CYP1B1PRKDC

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 GABRP 1902/4885GABRD 1959/4885GABRA1 1289/4885

“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.