SCHEMBL13800596

SCHEMBL13800596

COc1cc(-c2cccc(CN(c3ccc(C)cc3)C3CCN(Cc4ccnc(-c5cc(OC)c(OC)c(OC)c5)c4)CC3)c2)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.43
DRD4 P21917 4/20 0.40
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
HCRTR1 O43613 4/20 0.39
HCRTR2 O43614 4/20 0.39
CHEK1 O14757 1/20 0.38
NEK2 P51955 1/20 0.38
LIMK1 P53667 1/20 0.38
TYRO3 Q06418 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
BACE1 P56817 3/20 0.38
ACHE P22303 2/20 0.38
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
BCHE P06276 2/20 0.38
CXCR4 P61073 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL13800584 1.00 HTR7 (0.43) HTR7DRD4DRD2DRD3HCRTR1
Hydrochloric Acid SCHEMBL7218593 0.99 HTR7 (0.42) HTR7DRD4DRD2DRD3HCRTR1
Hydrochloric Acid SCHEMBL7217824 0.99 HTR7 (0.42) HTR7DRD4DRD2DRD3HCRTR1
SCHEMBL13800579 0.95 JAK2 (0.39) HTR7DRD4DRD2DRD3HCRTR1
Hydrochloric Acid SCHEMBL7217655 0.94 JAK2 (0.39) HTR7HCRTR1HCRTR2CHEK1NEK2
SCHEMBL6166365 0.93 DRD4 (0.45) HTR7DRD4DRD2DRD3HCRTR1
SCHEMBL13800336 0.93 DRD4 (0.45) HTR7DRD4DRD2DRD3HCRTR1
SCHEMBL13800775 0.93 HTR7 (0.46) HTR7DRD4DRD2DRD3HCRTR1
SCHEMBL13800660 0.93 MCL1 (0.43) HTR7DRD4DRD2DRD3HCRTR1
SCHEMBL13800742 0.93 HTR7 (0.44) HTR7DRD4DRD2DRD3HCRTR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR KOWA CO., LTD. (JP) 2009-06-04 US disclosed
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR KOWA CO., LTD. (JP) 2009-06-04 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 (1 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-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR EPOR, GHRHR, ARL1 HTR7 3747/4885DRD4 1352/4885DRD2 2405/4885

“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.