SCHEMBL4282075

SCHEMBL4282075

O=C(O)N1CCN(C(=O)c2ncn(C3CCCCC3(O)COCC(F)(F)F)c2-c2ccccc2)[C@H](Cc2ccccc2)C1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 2/20 0.34
DAGLA Q9Y4D2 2/20 0.34
CA1 P00915 10/20 0.33
CA2 P00918 10/20 0.33
CA4 P22748 10/20 0.33
CA9 Q16790 10/20 0.33
CNR2 P34972 2/20 0.32
SCD5 Q86SK9 1/20 0.32
SCN9A Q15858 1/20 0.32
TACR1 P25103 2/20 0.31
USP19 O94966 2/20 0.31

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
SCHEMBL4290896 0.91 CA1 (0.35) ABHD6DAGLACA1CA2CA4
SCHEMBL4290244 0.91 CA1 (0.35) ABHD6DAGLACA1CA2CA4
SCHEMBL4286206 0.90 CA1 (0.34) ABHD6DAGLACA1CA2CA4
SCHEMBL4285235 0.90 CA1 (0.34) ABHD6DAGLACA1CA2CA4
SCHEMBL4285579 0.90 CA1 (0.34) ABHD6DAGLACA1CA2CA4
SCHEMBL4284891 0.89 CA1 (0.36) ABHD6DAGLACA1CA2CA4
SCHEMBL4286751 0.89 CA1 (0.35) ABHD6DAGLACA1CA2CA4
SCHEMBL4291453 0.89 CA1 (0.34) ABHD6DAGLACA1CA2CA4
SCHEMBL4292950 0.89 CA1 (0.33) ABHD6DAGLACA1CA2CA4
SCHEMBL4293526 0.89 DAGLA (0.33) ABHD6DAGLACA1CA2CA4

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 ABHD6 3736/4885DAGLA 4309/4885CA1 2275/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ABHD6 3736/4885DAGLA 4309/4885CA1 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.