SCHEMBL4289874

SCHEMBL4289874

O=C(O)N1CCN[C@H](CCNc2ccc(-n3ccccc3=O)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.37
ADRB1 P08588 3/20 0.37
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
CA9 Q16790 2/20 0.34

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
SCHEMBL4294740 0.86 MAN1B1 (0.43) ADRB1CA1CA2CA4CA9
SCHEMBL4283259 0.81 HDAC4 (0.40) ADRB1
SCHEMBL4287930 0.80 F10 (0.38) F10
SCHEMBL4281661 0.79 KDM1A (0.42) F10
SCHEMBL4284858 0.78 CA1 (0.42) ADRB1CA1CA2CA4CA9
SCHEMBL4291132 0.78 MAPT (0.42)
SCHEMBL4282105 0.77 POLB (0.48) CA1CA2CA4CA9
SCHEMBL4291328 0.76 CA1 (0.38) ADRB1CA1CA2CA4CA9
SCHEMBL4284144 0.76 EPHX2 (0.43)
SCHEMBL4750102 0.74 MAPT (0.41) ADRB1CA1CA2CA4CA9

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 F10 3008/4885ADRB1 278/4885CA1 2275/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT F10 3008/4885ADRB1 278/4885CA1 2275/4885

“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.