SCHEMBL3498136

SCHEMBL3498136

CCOC(=O)c1cn2c(-c3ccc(Cl)cc3)cccc2n1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.65
GABRA2 P47869 11/20 0.57
GABRB2 P47870 11/20 0.57
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.49
SLC2A2 P11168 1/20 0.46
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL104191 0.89 GAA (0.70) GAAGABRA2GABRB2CYP1A2CYP2C9
SCHEMBL118187 0.82 GAA (0.75) GAAGABRA2GABRB2CYP1A2CYP2C9
SCHEMBL3499867 0.81 GABRA2 (0.57) GAAGABRA2GABRB2CYP1A2CYP2C9
SCHEMBL3497394 0.81 PPP1CA (0.48) GABRA2GABRB2PTGS2
SCHEMBL101291 0.79 GAA (1.00) GAAGABRA2GABRB2CYP1A2CYP2C9
SCHEMBL3499130 0.78 GABRA2 (0.62) GAAGABRA2GABRB2PTGS2SLC2A2
SCHEMBL8610256 0.78 GAA (0.71) GAAGABRA2GABRB2CYP1A2CYP2C9
SCHEMBL23530875 0.77 GAA (0.75) GAAGABRA2GABRB2CYP1A2CYP2C9
SCHEMBL3033258 0.77 GAA (0.75) GAAGABRA2GABRB2CYP1A2CYP2C9
SCHEMBL102137 0.77 GAA (0.75) GAAGABRA2GABRB2CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 GAA 4620/4885GABRA2 317/4885GABRB2 169/4885

“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.