SCHEMBL4291087

SCHEMBL4291087

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.44
GABRG2 P18507 10/20 0.44
GABRB3 P28472 10/20 0.44
GABRA5 P31644 9/20 0.44
GABRA2 P47869 4/20 0.44
GABRB2 P47870 3/20 0.44
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
CSNK1D P48730 1/20 0.40
ALDH1A1 P00352 4/20 0.40
ELANE P08246 1/20 0.40
LMNA P02545 1/20 0.40
GABRA3 P34903 5/20 0.39
GABRA1 P14867 4/20 0.39
GABRA4 P48169 2/20 0.39
GABRA6 Q16445 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39

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
SCHEMBL4291108 0.90 GABRG2 (0.40) GABRG2GABRB3GABRA5GABRA2GABRB2
SCHEMBL4287476 0.89 F2R (0.38) CSNK1DF2R
SCHEMBL4284854 0.88 GABRG2 (0.46) TRPM8GABRG2GABRB3GABRA5GABRA2
SCHEMBL13705063 0.88 CYP19A1 (0.45) GABRG2GABRB3GABRA5GABRA2GABRB2
SCHEMBL4296722 0.88 CYP19A1 (0.45) GABRG2GABRB3GABRA5GABRA2GABRB2
SCHEMBL4282663 0.88 CYP19A1 (0.45) GABRG2GABRB3GABRA5GABRA2GABRB2
SCHEMBL4282660 0.88 CYP19A1 (0.45) GABRG2GABRB3GABRA5GABRA2GABRB2
SCHEMBL4282668 0.88 CYP19A1 (0.45) GABRG2GABRB3GABRA5GABRA2GABRB2
SCHEMBL4289354 0.87 CYP19A1 (0.44) GABRG2GABRB3GABRA5ALDH1A1ELANE
SCHEMBL4289352 0.87 CYP19A1 (0.44) GABRG2GABRB3GABRA5ALDH1A1ELANE

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 TRPM8 1087/4885GABRG2 3657/4885GABRB3 3110/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT TRPM8 1087/4885GABRG2 3657/4885GABRB3 3110/4885

“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.