SCHEMBL4281780

SCHEMBL4281780

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 14/20 0.42
CA2 P00918 14/20 0.42
CA4 P22748 14/20 0.42
CA9 Q16790 14/20 0.42
MC4R P32245 2/20 0.40
MC3R P41968 2/20 0.40
MC1R Q01726 2/20 0.40
SCD5 Q86SK9 1/20 0.40
ABHD6 Q9BV23 3/20 0.37
DAGLA Q9Y4D2 3/20 0.37

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
SCHEMBL3493884 0.91 CA1 (0.41) CA1CA2CA4CA9SCD5
SCHEMBL3493838 0.90 CA1 (0.41) CA1CA2CA4CA9MC4R
SCHEMBL4290134 0.90 CA1 (0.40) CA1CA2CA4CA9SCD5
SCHEMBL4290128 0.90 CA1 (0.40) CA1CA2CA4CA9SCD5
SCHEMBL4281533 0.90 CA1 (0.40) CA1CA2CA4CA9SCD5
SCHEMBL4281536 0.90 CA1 (0.40) CA1CA2CA4CA9SCD5
SCHEMBL4281529 0.90 CA1 (0.40) CA1CA2CA4CA9SCD5
SCHEMBL3496119 0.90 MC4R (0.39) CA1CA2CA4CA9MC4R
SCHEMBL3494062 0.90 CA1 (0.48) CA1CA2CA4CA9MC4R
SCHEMBL3493179 0.90 MC4R (0.39) CA1CA2CA4CA9MC4R

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 CA1 2275/4885CA2 218/4885CA4 296/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CA1 2275/4885CA2 218/4885CA4 296/4885

“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.