SCHEMBL4830006

SCHEMBL4830006

O=C(c1ccc(F)cc1)N1CCc2c(ccc(Cl)c2Cl)C1CCN1CCC(c2noc3cc(F)ccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.54
DRD3 P35462 8/20 0.54
ACHE P22303 2/20 0.51
DRD2 P14416 4/20 0.50
SLC6A4 P31645 1/20 0.50
HTR7 P34969 4/20 0.49
KCNH2 Q12809 4/20 0.49

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
SCHEMBL4838780 0.93 HTR2A (0.54) HTR2ADRD3ACHEDRD2SLC6A4
SCHEMBL4837536 0.89 HTR2A (0.54) HTR2ADRD3ACHEDRD2SLC6A4
SCHEMBL4830090 0.89 ACHE (0.52) HTR2ADRD3ACHEDRD2SLC6A4
SCHEMBL4837257 0.89 ACHE (0.52) HTR2ADRD3ACHEDRD2SLC6A4
SCHEMBL4830089 0.85 HTR2A (0.54) HTR2ADRD3ACHEDRD2SLC6A4
SCHEMBL4839037 0.82 ACHE (0.53) HTR2ADRD3ACHEDRD2SLC6A4
SCHEMBL4830098 0.78 ACHE (0.54) HTR2ADRD3ACHEDRD2SLC6A4
SCHEMBL4837542 0.78 ACHE (0.54) HTR2ADRD3ACHEDRD2SLC6A4
SCHEMBL4830201 0.78 DRD2 (0.45) HTR2ADRD3DRD2
SCHEMBL4839049 0.76 HTR2A (0.53) HTR2ADRD3ACHEDRD2SLC6A4

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-7384957-B2 3,4-dihydro-1H-isoquinolin-2-yl-derivatives H. LUNDBECK A/S (DK) 2008-06-10 US claimed
US-20050070713-A1 3 4-Dihydro-1h-isoquinoloin-2-yl-derivatives H. LUNDBECK A/S (DK) 2005-03-31 US claimed
US-7384957-B2 3,4-dihydro-1H-isoquinolin-2-yl-derivatives H. LUNDBECK A/S (DK) 2008-06-10 US disclosed
US-20050070713-A1 3 4-Dihydro-1h-isoquinoloin-2-yl-derivatives H. LUNDBECK A/S (DK) 2005-03-31 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-20050070713-A1 3 4-Dihydro-1h-isoquinoloin-2-yl-derivatives KCNJ2, KCNK2, KCNJ11 HTR2A 894/4885DRD3 1164/4885ACHE 3053/4885

“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.