SCHEMBL8528193

SCHEMBL8528193

O=c1[nH]c2cccc(OCCN3CCc4ccccc4C3)c2[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.48
MAPK1 P28482 2/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ABCB1 P08183 1/20 0.48
ATM Q13315 1/20 0.47
HTR5A P47898 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
HTR7 P34969 1/20 0.45
HRH1 P35367 1/20 0.45
DRD3 P35462 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL7341749 0.91 MEN1 (0.48) DAOMEN1KMT2AMAPTMAPK1
SCHEMBL8350404 0.86 GNRHR (0.52) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL7333842 0.73 L3MBTL1 (0.54) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL8136894 0.73 GNRHR (0.66) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL7342785 0.73 DAO (0.47) DAOMEN1KMT2AMAPTMAPK1
Hydrochloric Acid SCHEMBL8133412 0.72 GNRHR (0.64) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL7246660 0.71 DRD2 (0.64) MEN1KMT2AMAPTL3MBTL1ABCB1
SCHEMBL1135811 0.70 GRIN2D (0.46) DAOMEN1KMT2AATMKDM4E
SCHEMBL1135620 0.70 KDM4E (0.47) MEN1KMT2AMAPK1SMN1; SMN2KDM4E
SCHEMBL7253798 0.70 L3MBTL1 (0.71) MEN1KMT2AMAPTPOLBSMN1; 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-20070117788-A1 Combination of a dopamine D2-receptor agonist and tiotropium or a derivative therof for treating obstructive airways and other inflammatory diseases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-05-24 US disclosed
US-20070117788-A1 Combination of a dopamine D2-receptor agonist and tiotropium or a derivative therof for treating obstructive airways and other inflammatory diseases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-05-24 US disclosed
EP-0963372-A1 5-AMINOALKOXY-1,4-DIHYDROQUINOXALINE-2,3-DIONES BEING DOPAMINE AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-15 EP disclosed
WO-1998035948-A1 5-AMINOALKOXY-1,4-DIHYDROQUINOXALINE-2,3-DIONES BEING DOPAMINE AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-08-20 WO 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-20070117788-A1 Combination of a dopamine D2-receptor agonist and tiotropium or a derivative therof for treating obstructive airways and other inflammatory diseases CHRM2, ADRB2, CHRM3 DAO 1132/4885MEN1 3175/4885KMT2A 3733/4885

“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.