SCHEMBL4285739

SCHEMBL4285739

CC(C)c1ccccc1NCC[C@@H]1CNCCN1C(=O)c1ncn([C@H]2CCCC[C@@H]2NC(=O)O)c1-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.34
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
ACP1 P24666 5/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
KHK P50053 1/20 0.31
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4281717 0.88 HCRTR1 (0.34) HCRTR1HCRTR2ACP1LMNAL3MBTL1
SCHEMBL4286271 0.87 HCRTR1 (0.35) HCRTR1HCRTR2ACP1
SCHEMBL4296635 0.86 ACP1 (0.34) HCRTR1HCRTR2ACP1LMNA
SCHEMBL4284170 0.86 HCRTR2 (0.36) HCRTR1HCRTR2ACP1
SCHEMBL4287187 0.86 HCRTR1 (0.35) HCRTR1HCRTR2ACP1
SCHEMBL4289944 0.86 HCRTR1 (0.35) HCRTR1HCRTR2ACP1
SCHEMBL4281523 0.85 HCRTR1 (0.35) HCRTR1HCRTR2ACP1
SCHEMBL4281603 0.85 ACP1 (0.35) HCRTR1HCRTR2ACP1KCNH2
SCHEMBL4283035 0.85 ACP1 (0.35) HCRTR1HCRTR2ACP1KCNH2
SCHEMBL4288880 0.85 HCRTR1 (0.35) HCRTR1HCRTR2ACP1

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 TRPV1 775/4885HCRTR1 3147/4885HCRTR2 3136/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT TRPV1 775/4885HCRTR1 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.