SCHEMBL1005669

SCHEMBL1005669

CCCCc1nn(Cc2ccc(C(=O)OC)cc2)c2c1CCCC2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 2/20 0.48
FAAH O00519 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CHKA P35790 1/20 0.42
TLR7 Q9NYK1 1/20 0.41
CYP4A11 Q02928 2/20 0.41
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41
CYP4F2 P78329 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL1007656 0.90 RAB9A (0.51) GAARAB9APOLBFAAHMEN1
SCHEMBL1007995 0.87 RARB (0.47) RAB9AMEN1KMT2AAGTR1AGTR2
SCHEMBL1008169 0.83 HPGD (0.47) RAB9AMEN1KMT2ACHKA
SCHEMBL1009828 0.80 RAB9A (0.50) GAARAB9APOLBFAAHMEN1
SCHEMBL1007283 0.76 KDM4E (0.45) GAARAB9APOLBMEN1KMT2A
SCHEMBL1008235 0.72 HRH3 (0.46) GAARAB9APOLBMEN1KMT2A
SCHEMBL1792416 0.72 CYP4A11 (0.74) RAB9ACYP4A11CYP4F2
SCHEMBL1006441 0.70 SMN1; SMN2 (0.44) GAAMEN1KMT2ACHKA
SCHEMBL8430774 0.69 MEN1 (0.47) RAB9AMEN1KMT2APDE4APDE4B
SCHEMBL10479394 0.69 MAPT (0.48) GAAPOLBMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
WO-2009119088-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 WO 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 GAA 4077/4885RAB9A 1932/4885POLB 3571/4885

“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.