SCHEMBL4294740

SCHEMBL4294740

O=C(O)N1CCN[C@H](CCNc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAN1B1 Q9UKM7 1/20 0.43
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA4 P22748 4/20 0.41
CA9 Q16790 4/20 0.41
ADRB1 P08588 3/20 0.40
POLB P06746 1/20 0.40
REN P00797 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
EPHX1 P07099 1/20 0.36
CCR3 P51677 1/20 0.36
PARP1 P09874 1/20 0.35
YAP1 P46937 1/20 0.35
TEAD4 Q15561 1/20 0.35
DPP4 P27487 2/20 0.35
CXCR4 P61073 1/20 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
SCHEMBL4291328 0.87 CA1 (0.38) CA1CA2CA4CA9ADRB1
SCHEMBL4284858 0.87 CA1 (0.42) CA1CA2CA4CA9ADRB1
SCHEMBL4289874 0.86 F10 (0.37) CA1CA2CA4CA9ADRB1
SCHEMBL4291132 0.86 MAPT (0.42) GAACCR3
SCHEMBL4287898 0.85 SLC6A2 (0.44) CCR3
SCHEMBL4282105 0.85 POLB (0.48) CA1CA2CA4CA9POLB
SCHEMBL4750102 0.84 MAPT (0.41) CA1CA2CA4CA9ADRB1
SCHEMBL4289461 0.84 EBP (0.40) CA1CA2CA4CA9ADRB1
SCHEMBL13705274 0.84 GRIN2B (0.50) CXCR4
SCHEMBL4281787 0.84 MEN1 (0.41) POLBGAA

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 MAN1B1 3224/4885CA1 2275/4885CA2 218/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT MAN1B1 3224/4885CA1 2275/4885CA2 218/4885

“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.