SCHEMBL4285530

SCHEMBL4285530

O=C1CCc2cc(OCC[C@@H]3CNCCN3C(=O)c3ncn([C@@H]4CCCC[C@@]4(O)CC4CC4)c3-c3ccccc3)ccc2N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.38
DRD3 P35462 5/20 0.38
HTR1A P08908 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
SLC6A4 P31645 2/20 0.38
HTR7 P34969 2/20 0.38
MAOA P21397 3/20 0.36
MAOB P27338 3/20 0.36
PDE3B Q13370 3/20 0.36
PDE3A Q14432 3/20 0.36
ALDH1A2 O94788 2/20 0.35
KDM1A O60341 1/20 0.35
DRD4 P21917 4/20 0.34
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 3/20 0.34
MEN1 O00255 1/20 0.34
ABCC4 O15439 1/20 0.34
CACNA1F O60840 1/20 0.34
ABCB11 O95342 1/20 0.34

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 0.95 MAOA (0.37) DRD2DRD3HTR2AMAOAMAOB
SCHEMBL4290897 0.92 DRD2 (0.38) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL4288589 0.88 CPT1A (0.37) DRD2HTR1AHTR2AHTR7PDE3B
SCHEMBL4289502 0.87 DRD2 (0.38) DRD2DRD3HTR2AMAOAMAOB
SCHEMBL4297253 0.86 USP19 (0.33) HCRTR1HCRTR2CYP3A4
SCHEMBL4285285 0.85 KDM1A (0.35) KDM1AHCRTR1HCRTR2
SCHEMBL4283818 0.85 REN (0.35) DRD2DRD3DRD4HCRTR1HCRTR2
SCHEMBL4285289 0.84 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL4287118 0.83 HCRTR1 (0.38) HCRTR1HCRTR2MEN1KMT2A
SCHEMBL4294404 0.83 HCRTR1 (0.35) HCRTR1HCRTR2LMNASMN1; SMN2

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 DRD2 3802/4885DRD3 3476/4885HTR1A 4012/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT DRD2 3802/4885DRD3 3476/4885HTR1A 4012/4885

“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.