SCHEMBL4282774

SCHEMBL4282774

COC(=O)c1cncc(OCC[C@@H]2CN(C(=O)O)CCN2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.37
ATM Q13315 1/20 0.36
CHRNB2 P17787 3/20 0.36
CHRNA4 P43681 3/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNB3 Q05901 1/20 0.36
CHRNA6 Q15825 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA9 Q16790 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP11B2 P19099 1/20 0.33
SCN9A Q15858 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33

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
SCHEMBL4284770 0.85 ALDH1A1 (0.41) KDM4E
SCHEMBL4280901 0.81 GRM5 (0.38) GRM5ATMCHRNB2CHRNA4CHRNA3
SCHEMBL4290410 0.81 SCN9A (0.40) SCN9ASCN10A
SCHEMBL4289809 0.78 MAPT (0.42) CA1CA2CA4CA9
SCHEMBL4287557 0.77 ALDH1A1 (0.37) SCN9ASCN10A
SCHEMBL4289137 0.77 CPS1 (0.39)
SCHEMBL4287310 0.77 TTR (0.37) ATMCA1CA2CA4CA9
Hydrochloric Acid SCHEMBL4287144 0.76 HPGD (0.47) KDM4E
SCHEMBL4291610 0.76 CHRNA4 (0.40) CHRNA4CA1CA2CA4CA9
SCHEMBL3493396 0.76 TEAD1 (0.46) CA1CA2CA4CA9KDM4E

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-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

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 GRM5 2278/4885ATM 2921/4885CHRNB2 4707/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT GRM5 2278/4885ATM 2921/4885CHRNB2 4707/4885

“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.