SCHEMBL4291370

SCHEMBL4291370

CCCCCC1CNCCN1C(=O)c1ncn([C@H]2CCCC[C@H]2O)c1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA4 P22748 4/20 0.33
CA9 Q16790 4/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
REN P00797 1/20 0.32
KEAP1 Q14145 2/20 0.32
NFE2L2 Q16236 2/20 0.32
SLC18A3 Q16572 1/20 0.32
USP19 O94966 1/20 0.32
HCAR1 Q9BXC0 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
SCHEMBL13705386 0.88 CA1 (0.38) HCRTR1HCRTR2CA1CA2CA4
SCHEMBL4287365 0.86 HCRTR1 (0.44) HCRTR1HCRTR2REN
SCHEMBL4295394 0.86 CA1 (0.47) HCRTR1HCRTR2CA1CA2CA4
SCHEMBL4293971 0.86 CA1 (0.47) HCRTR1HCRTR2CA1CA2CA4
SCHEMBL4281941 0.86 CA1 (0.47) HCRTR1HCRTR2CA1CA2CA4
SCHEMBL4292390 0.86 CA1 (0.47) HCRTR1HCRTR2CA1CA2CA4
SCHEMBL4290616 0.85 CA1 (0.46) HCRTR1HCRTR2CA1CA2CA4
SCHEMBL4290619 0.85 CA1 (0.46) HCRTR1HCRTR2CA1CA2CA4
SCHEMBL13705360 0.85 CA1 (0.46) HCRTR1HCRTR2CA1CA2CA4
SCHEMBL13705359 0.85 CA1 (0.46) 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 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 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.