SCHEMBL4290286

SCHEMBL4290286

CCOC(=O)c1ncn([C@H]2CCCC[C@]23CO3)c1-c1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
GABRG2 P18507 5/20 0.40
GABRB3 P28472 5/20 0.40
GABRA5 P31644 5/20 0.40
GABRA2 P47869 3/20 0.40
GABRB2 P47870 2/20 0.40
MAPT P10636 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
GAA P10253 1/20 0.39
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
ELANE P08246 2/20 0.38
LMNA P02545 1/20 0.38
CSNK1D P48730 1/20 0.37
GABRA1 P14867 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRA6 Q16445 2/20 0.36
HTT P42858 1/20 0.35
MEN1 O00255 2/20 0.35

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
SCHEMBL4293821 1.00 ALDH1A1 (0.40) ALDH1A1GABRG2GABRB3GABRA5GABRA2
SCHEMBL4281370 0.89 ALDH1A1 (0.43) ALDH1A1GABRG2GABRB3GABRA5MAPT
SCHEMBL4284853 0.89 ALDH1A1 (0.43) ALDH1A1GABRG2GABRB3GABRA5MAPT
SCHEMBL4289718 0.89 ALDH1A1 (0.43) ALDH1A1GABRG2GABRB3GABRA5MAPT
SCHEMBL4291087 0.81 TRPM8 (0.44) ALDH1A1GABRG2GABRB3GABRA5GABRA2
SCHEMBL4291060 0.79 GABRG2 (0.42) ALDH1A1GABRG2GABRB3GABRA5GABRA2
SCHEMBL4285832 0.76 ALDH1A1 (0.45) ALDH1A1GABRG2GABRB3GABRA5GABRA2
SCHEMBL4295333 0.75 ALDH1A1 (0.42) ALDH1A1GABRG2GABRB3GABRA5GABRA2
SCHEMBL4983208 0.75 ALDH1A1 (0.42) ALDH1A1GABRG2GABRB3GABRA5GABRA2
SCHEMBL4281262 0.75 SCD5 (0.35) CYP1A2CYP2D6TSHR

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 ALDH1A1 388/4885GABRG2 3657/4885GABRB3 3110/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ALDH1A1 388/4885GABRG2 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.