SCHEMBL4284904

SCHEMBL4284904

CCc1nc2cc(NCC[C@@H]3CNCCN3C(=O)c3ncn([C@@H]4CCCC[C@@]4(O)CC4CC4)c3-c3ccccc3)ccc2o1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
GRK2 P25098 1/20 0.30
GRK5 P34947 1/20 0.30
USP19 O94966 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
SCHEMBL4283323 0.93 MEN1 (0.36) NPC1RAB9AMEN1KMT2AHCRTR1
SCHEMBL4291212 0.88 MEN1 (0.37) NPC1RAB9AMEN1KMT2AHCRTR1
SCHEMBL4283378 0.86 USP19 (0.33) NPC1RAB9AMEN1KMT2AHCRTR1
SCHEMBL4285006 0.83 MEN1 (0.36) NPC1RAB9AMEN1KMT2AHCRTR1
SCHEMBL4287118 0.83 HCRTR1 (0.38) NPC1RAB9AMEN1KMT2AHCRTR1
SCHEMBL4288109 0.82 USP19 (0.33) NPC1RAB9AHCRTR1HCRTR2USP19
SCHEMBL4294404 0.81 HCRTR1 (0.35) HCRTR1HCRTR2USP19
SCHEMBL4284952 0.80 NPC1 (0.37) NPC1RAB9AMEN1KMT2AHCRTR1
SCHEMBL4281275 0.80 USP19 (0.37) HCRTR1HCRTR2USP19
SCHEMBL4292373 0.80

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 NPC1 1165/4885RAB9A 1247/4885MEN1 1254/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT NPC1 1165/4885RAB9A 1247/4885MEN1 1254/4885

“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.