SCHEMBL4290846

SCHEMBL4290846

O=C(O)N[C@H]1CCCC[C@@H]1n1cnc(C(=O)N2CCNC[C@H]2CCCc2ccccc2)c1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA4 P22748 3/20 0.35
CA9 Q16790 3/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC18A3 Q16572 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
REN P00797 2/20 0.32
TACR1 P25103 1/20 0.32
MLNR O43193 1/20 0.32
EPHX2 P34913 1/20 0.32
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 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
SCHEMBL4287693 0.95 CA1 (0.36) CA1CA2CA4CA9HCRTR1
SCHEMBL13705410 0.94 CA1 (0.33) CA1CA2CA4CA9MEN1
SCHEMBL4296474 0.90 CA1 (0.44) CA1CA2CA4CA9HCRTR1
SCHEMBL4283871 0.90 CA1 (0.44) CA1CA2CA4CA9HCRTR1
SCHEMBL4289518 0.90 CA1 (0.44) CA1CA2CA4CA9HCRTR1
SCHEMBL4283733 0.90 CA1 (0.44) CA1CA2CA4CA9HCRTR1
SCHEMBL4293415 0.87 HCRTR1 (0.44) NPC1RAB9AHCRTR1HCRTR2
SCHEMBL4281717 0.87 HCRTR1 (0.34) CA1CA2CA4CA9HCRTR1
SCHEMBL4281927 0.87 CA1 (0.41) CA1CA2CA4CA9MEN1
SCHEMBL4285126 0.87 HCRTR1 (0.34) CA1CA2CA4CA9HCRTR1

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 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.