SCHEMBL4289745

SCHEMBL4289745

COCCN(C(=O)O)[C@H]1CCCC[C@@H]1n1cnc(C(=O)N2CCNC[C@H]2Cc2cc(F)cc(F)c2)c1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.35
HCRTR2 O43614 8/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
CA9 Q16790 2/20 0.34
DPP4 P27487 4/20 0.33
DPP7 Q9UHL4 2/20 0.33
REN P00797 2/20 0.33
USP19 O94966 2/20 0.32
CYP3A4 P08684 1/20 0.31
BACE1 P56817 1/20 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
SCHEMBL4287969 0.93 CA1 (0.40) HCRTR1HCRTR2CA1CA2CA4
SCHEMBL4281507 0.92 CA1 (0.35) HCRTR1HCRTR2CA1CA2CA4
SCHEMBL4288667 0.90 CA1 (0.39) HCRTR1HCRTR2CA1CA2CA4
SCHEMBL4287918 0.88 DPP4 (0.36) HCRTR1HCRTR2CA1CA2CA4
SCHEMBL13705355 0.85 CA1 (0.40) HCRTR1HCRTR2CA1CA2CA4
Hydrochloric Acid SCHEMBL4286645 0.84 CA1 (0.39) HCRTR1HCRTR2CA1CA2CA4
SCHEMBL13705423 0.84 CHRM3 (0.34) HCRTR1HCRTR2CA1CA2CA4
SCHEMBL8114846 0.84 CA1 (0.36) HCRTR1HCRTR2CA1CA2CA4
SCHEMBL4284834 0.82 CA1 (0.38) HCRTR1HCRTR2CA1CA2CA4
SCHEMBL4290981 0.81 CA1 (0.35) HCRTR1HCRTR2CA1CA2CA4

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 HCRTR1 3147/4885HCRTR2 3136/4885CA1 2275/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885CA1 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.