SCHEMBL14507258

SCHEMBL14507258

CCCN(CCOC(C)(C)C)C1CCc2c(ccc3c2OCO3)C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.47
DRD1 P21728 2/20 0.47
DRD3 P35462 9/20 0.47
HTR1A P08908 4/20 0.47
DRD4 P21917 4/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR7 P34969 3/20 0.45
DRD5 P21918 1/20 0.45
ADRB2 P07550 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
SCHEMBL22702276 0.89 DRD2 (0.57) DRD2DRD1DRD3HTR1ADRD4
SCHEMBL22702312 0.89 DRD2 (0.57) DRD2DRD1DRD3HTR1ADRD4
SCHEMBL7785759 0.86 DRD2 (0.47) DRD2DRD1DRD3HTR1ADRD4
SCHEMBL7788407 0.79 DRD2 (0.78) DRD2DRD1DRD3HTR1ADRD4
SCHEMBL7785685 0.79 DRD2 (0.78) DRD2DRD1DRD3HTR1ADRD4
SCHEMBL7785683 0.74 DRD2 (0.43) DRD2DRD1DRD3HTR1ADRD4
SCHEMBL7785681 0.74 DRD2 (0.43) DRD2DRD1DRD3HTR1ADRD4
SCHEMBL5811739 0.67 DRD2 (0.42) DRD2DRD1
SCHEMBL7786294 0.66 DRD2 (0.54) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL8126165 0.66 HTR1D (0.64) DRD2DRD1DRD3HTR1ADRD4

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-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

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 DRD2 33/4885DRD1 61/4885DRD3 39/4885

“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.