SCHEMBL4288589

SCHEMBL4288589

O=C1COc2ccc(OCC[C@@H]3CNCCN3C(=O)c3ncn([C@@H]4CCCC[C@@]4(O)CC4CC4)c3-c3ccccc3)cc2N1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 4/20 0.37
CPT2 P23786 2/20 0.36
CPT1B Q92523 2/20 0.36
HTR1A P08908 10/20 0.36
DRD2 P14416 2/20 0.34
HTR2A P28223 2/20 0.34
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
HTR1D P28221 2/20 0.33
HTR1B P28222 2/20 0.33
USP19 O94966 2/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
HTR6 P50406 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 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
SCHEMBL4287530 0.89 MAOA (0.37) DRD2HTR2A
SCHEMBL4285530 0.88 DRD2 (0.38) HTR1ADRD2HTR2AHCRTR1HCRTR2
SCHEMBL4285285 0.86 KDM1A (0.35) HCRTR1HCRTR2USP19
SCHEMBL4287118 0.83 HCRTR1 (0.38) HCRTR1HCRTR2USP19
SCHEMBL4294404 0.83 HCRTR1 (0.35) HCRTR1HCRTR2USP19HTR2B
SCHEMBL4285289 0.82 HCRTR1 (0.38) HCRTR1HCRTR2USP19
SCHEMBL4289502 0.82 DRD2 (0.38) DRD2HTR2AHCRTR1HCRTR2USP19
Hydrochloric Acid SCHEMBL4292897 0.81 USP19 (0.36) DRD2HCRTR1HCRTR2USP19
SCHEMBL4297253 0.81 USP19 (0.33) HCRTR1HCRTR2USP19
SCHEMBL4285204 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 5 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
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 CPT1A 1277/4885CPT2 4179/4885CPT1B 3075/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CPT1A 1277/4885CPT2 4179/4885CPT1B 3075/4885

“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.