SCHEMBL4291064

SCHEMBL4291064

CCc1nc2cc(OCC[C@@H]3CNCCN3C(=O)c3ncn([C@H]4CCCC[C@@H]4NC(=O)O)c3-c3ccccc3)ccc2o1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.39
HCRTR2 O43614 4/20 0.39
NPC1 O15118 10/20 0.36
RAB9A P51151 9/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CHEK2 O96017 1/20 0.35
AVPR1B P47901 1/20 0.33

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
SCHEMBL13705460 0.96 HCRTR2 (0.37) HCRTR1HCRTR2NPC1RAB9AMEN1
SCHEMBL13705459 0.96 HCRTR2 (0.37) HCRTR1HCRTR2NPC1RAB9AMEN1
SCHEMBL4284128 0.93 HCRTR1 (0.40) HCRTR1HCRTR2NPC1RAB9ACHEK2
SCHEMBL4289480 0.91 HCRTR1 (0.38) HCRTR1HCRTR2CHEK2AVPR1B
SCHEMBL13810495 0.90 HCRTR2 (0.38) HCRTR1HCRTR2RAB9AMEN1KMT2A
SCHEMBL13705469 0.90 HCRTR2 (0.38) HCRTR1HCRTR2RAB9AMEN1KMT2A
SCHEMBL4290209 0.89 HCRTR2 (0.41) HCRTR1HCRTR2NPC1RAB9ACHEK2
SCHEMBL13705456 0.88 HCRTR2 (0.37) HCRTR1HCRTR2CHEK2AVPR1B
SCHEMBL4285166 0.87 HCRTR1 (0.43) HCRTR1HCRTR2CHEK2AVPR1B
SCHEMBL4284535 0.86 HCRTR1 (0.42) HCRTR1HCRTR2MEN1KMT2ACHEK2

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 3136/4885NPC1 1165/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885NPC1 1165/4885

“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.