SCHEMBL4290218

SCHEMBL4290218

O=C(c1ncn([C@H]2CCCC[C@H]2O)c1-c1ccccc1)N1CCNCC1CCc1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.38
HCRTR1 O43613 5/20 0.36
HCRTR2 O43614 5/20 0.36
DPP7 Q9UHL4 4/20 0.35
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA4 P22748 3/20 0.32
CA9 Q16790 3/20 0.32
MET P08581 1/20 0.32
TSPO P30536 1/20 0.32
OPRK1 P41145 1/20 0.32
HTR2B P41595 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
Hydrochloric Acid SCHEMBL4285523 0.91 DPP4 (0.42) DPP4HCRTR1HCRTR2DPP7CA1
SCHEMBL13705386 0.89 CA1 (0.38) HCRTR1HCRTR2CA1CA2CA4
Hydrochloric Acid SCHEMBL4290713 0.85 HCRTR1 (0.34) HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL4296955 0.85 DPP4 (0.44) DPP4HCRTR1HCRTR2DPP7CA1
SCHEMBL4287365 0.84 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL4291370 0.84 HCRTR1 (0.34) HCRTR1HCRTR2CA1CA2CA4
SCHEMBL4281941 0.84 CA1 (0.47) DPP4HCRTR1HCRTR2DPP7CA1
SCHEMBL4295394 0.84 CA1 (0.47) DPP4HCRTR1HCRTR2DPP7CA1
SCHEMBL4292390 0.84 CA1 (0.47) DPP4HCRTR1HCRTR2DPP7CA1
SCHEMBL4293971 0.84 CA1 (0.47) DPP4HCRTR1HCRTR2DPP7CA1

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 5 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-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
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 DPP4 113/4885HCRTR1 3147/4885HCRTR2 3136/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT DPP4 113/4885HCRTR1 3147/4885HCRTR2 3136/4885

“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.