SCHEMBL10758705

SCHEMBL10758705

CCCN(CCC)C1CCc2nc(N(C)C)ncc2C1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 14/20 0.60
DRD2 P14416 12/20 0.60
HTR1A P08908 2/20 0.49
FYN P06241 1/20 0.47
DRD4 P21917 1/20 0.44

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
Sulfuric Acid SCHEMBL10847216 0.89 DRD3 (0.58) DRD3DRD2HTR1AFYN
Bromide SCHEMBL10759133 0.87 DRD2 (0.55) DRD3DRD2HTR1AFYN
SCHEMBL10754236 0.83 DRD2 (0.59) DRD3DRD2HTR1AFYNDRD4
SCHEMBL10761230 0.83 DRD2 (0.66) DRD3DRD2HTR1AFYN
SCHEMBL10761186 0.82 DRD2 (0.60) DRD3DRD2HTR1AFYN
Hydrochloric Acid SCHEMBL10763527 0.82 DRD2 (0.64) DRD3DRD2HTR1AFYN
Hydrochloric Acid SCHEMBL10761212 0.82 DRD2 (0.57) DRD3DRD2HTR1AFYNDRD4
SCHEMBL10762873 0.81 DRD2 (0.56) DRD3DRD2HTR1AFYNDRD4
SCHEMBL10755730 0.81 DRD2 (0.62) DRD3DRD2HTR1AFYN
Hydrochloric Acid SCHEMBL10850176 0.80 DRD2 (0.61) DRD3DRD2HTR1AFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0209983-A1 Dialkylaminotetrahydroquinazoline ELI LILLY AND COMPANY (US) 1987-01-28 EP claimed
US-4622398-A INCREASING CONCENTRATION OF DOPAMINE AND NOREPINEPHRINE IN BRAIN, ANTAGONIST ELI LILLY AND COMPANY (US) 1986-11-11 US claimed
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-0209983-A1 Dialkylaminotetrahydroquinazoline ELI LILLY AND COMPANY (US) 1987-01-28 EP disclosed
US-4622398-A INCREASING CONCENTRATION OF DOPAMINE AND NOREPINEPHRINE IN BRAIN, ANTAGONIST ELI LILLY AND COMPANY (US) 1986-11-11 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 DRD3 39/4885DRD2 33/4885HTR1A 429/4885

“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.