SCHEMBL4285006

SCHEMBL4285006

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 9/20 0.36
RAB9A P51151 9/20 0.36
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
USP19 O94966 2/20 0.33
CHEK2 O96017 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
SCHEMBL4284952 0.96 NPC1 (0.37) MEN1KMT2ANPC1RAB9AHCRTR1
SCHEMBL4281825 0.93 HCRTR1 (0.38) MEN1KMT2ANPC1RAB9AHCRTR1
SCHEMBL4287556 0.92 HCRTR1 (0.35) MEN1KMT2ANPC1RAB9AHCRTR1
SCHEMBL4283323 0.90 MEN1 (0.36) MEN1KMT2ANPC1RAB9AHCRTR1
SCHEMBL4291212 0.89 MEN1 (0.37) MEN1KMT2ANPC1RAB9AHCRTR1
SCHEMBL4282038 0.89 HCRTR1 (0.38) MEN1KMT2AHCRTR1HCRTR2USP19
SCHEMBL4286361 0.89 HCRTR2 (0.38) NPC1RAB9AHCRTR1HCRTR2USP19
SCHEMBL4293902 0.88 HCRTR1 (0.38) HCRTR1HCRTR2USP19CHEK2
SCHEMBL4289627 0.88 HCRTR1 (0.36) NPC1RAB9AHCRTR1HCRTR2USP19
SCHEMBL4281223 0.87 HCRTR1 (0.38) HCRTR1HCRTR2USP19CHEK2

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 6 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-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 MEN1 1254/4885KMT2A 1049/4885NPC1 1165/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT MEN1 1254/4885KMT2A 1049/4885NPC1 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.