SCHEMBL4285818

SCHEMBL4285818

CCOC(=O)c1ncn([C@H]2CCCC[C@@H]2O)c1-c1cccc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 10/20 0.40
GABRB3 P28472 10/20 0.40
GABRA5 P31644 9/20 0.40
GABRA3 P34903 5/20 0.40
GABRA1 P14867 4/20 0.40
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
GABRA2 P47869 3/20 0.37
GABRB2 P47870 2/20 0.37
ELANE P08246 1/20 0.37
EED O75530 2/20 0.37
SUZ12 Q15022 1/20 0.37
EZH2 Q15910 1/20 0.37

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
SCHEMBL4290350 0.92 GABRG2 (0.44) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL4291358 0.84 HCAR1 (0.38) MAPT
SCHEMBL4291087 0.82 TRPM8 (0.44) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL4284854 0.82 GABRG2 (0.46) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL4282663 0.81 CYP19A1 (0.45) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL4282668 0.81 CYP19A1 (0.45) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL13705063 0.81 CYP19A1 (0.45) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL4282660 0.81 CYP19A1 (0.45) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL4296722 0.81 CYP19A1 (0.45) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL4289354 0.81 CYP19A1 (0.44) GABRG2GABRB3GABRA5GABRA3GABRA1

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
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT GABRG2 3657/4885GABRB3 3110/4885GABRA5 1948/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT GABRG2 3657/4885GABRB3 3110/4885GABRA5 1948/4885

“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.