SCHEMBL4286302

SCHEMBL4286302

O=C(O)N1CCN[C@@H](Cn2cncc2-c2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.42
CYP11B2 P19099 6/20 0.42
IDO1 P14902 4/20 0.42
REN P00797 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA9 Q16790 2/20 0.37
ADRB1 P08588 2/20 0.36
PARP1 P09874 1/20 0.36
HPGDS O60760 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
PLD2 O14939 1/20 0.34
PLD1 Q13393 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
CCR3 P51677 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
SCHEMBL4286305 1.00 CYP11B1 (0.42) CYP11B1CYP11B2IDO1RENCA1
SCHEMBL13705280 0.86 USP30 (0.43) IDO1HPGDS
SCHEMBL4283230 0.77 ESR1 (0.47) RENCA1CA2CA4CA9
SCHEMBL4283233 0.77 ESR1 (0.47) RENCA1CA2CA4CA9
SCHEMBL4295875 0.76 EGLN3 (0.46) CYP11B1CYP11B2
SCHEMBL4295876 0.76 EGLN3 (0.46) CYP11B1CYP11B2
SCHEMBL4294538 0.74 RAB9A (0.49) CA1CA2CA4CA9
SCHEMBL4295031 0.71 KMO (0.46) RENCA1CA2CA4CA9
SCHEMBL3495230 0.71 CA1 (0.62) RENCA1CA2CA4CA9
SCHEMBL5719329 0.71 CA1 (0.62) RENCA1CA2CA4CA9

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 3 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
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO 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 CYP11B1 7/4885CYP11B2 6/4885IDO1 275/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CYP11B1 7/4885CYP11B2 6/4885IDO1 275/4885

“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.