SCHEMBL4293022

SCHEMBL4293022

C[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCNC[C@H]2CCOc2ccc3oc(C4CC4)nc3c2)c1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.37
HCRTR2 O43614 3/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
USP19 O94966 3/20 0.34
TP53 P04637 2/20 0.33
CHEK2 O96017 1/20 0.33
HTR2B P41595 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL4287507 0.93 HCRTR1 (0.39) HCRTR1HCRTR2USP19CHEK2MEN1
SCHEMBL4287556 0.92 HCRTR1 (0.35) HCRTR1HCRTR2POLBLMNAMAPT
SCHEMBL4294404 0.92 HCRTR1 (0.35) HCRTR1HCRTR2POLBLMNAMAPT
SCHEMBL4289480 0.86 HCRTR1 (0.38) HCRTR1HCRTR2POLBLMNAMAPT
SCHEMBL4285853 0.85 HCRTR1 (0.45) HCRTR1HCRTR2USP19CHEK2
SCHEMBL4281825 0.85 HCRTR1 (0.38) HCRTR1HCRTR2USP19CHEK2MEN1
SCHEMBL4287118 0.85 HCRTR1 (0.38) HCRTR1HCRTR2USP19CHEK2MEN1
SCHEMBL13705456 0.84 HCRTR2 (0.37) HCRTR1HCRTR2POLBLMNAMAPT
SCHEMBL4285006 0.84 MEN1 (0.36) HCRTR1HCRTR2USP19CHEK2MEN1
SCHEMBL4286934 0.81 HCRTR1 (0.35) HCRTR1HCRTR2USP19

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 4 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-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 HCRTR1 3147/4885HCRTR2 3136/4885POLB 3799/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885POLB 3799/4885

“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.