SCHEMBL4837542

SCHEMBL4837542

O=C(C1CCCC1)N1CCc2c(F)cccc2C1CCN1CCC(c2noc3cc(F)ccc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.54
HTR2A P28223 10/20 0.51
DRD3 P35462 5/20 0.51
DRD2 P14416 6/20 0.51
SLC6A4 P31645 1/20 0.51
HTR2C P28335 4/20 0.50
HTR7 P34969 2/20 0.48
HTR1A P08908 1/20 0.48
HTR6 P50406 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL4839037 0.93 ACHE (0.53) ACHEHTR2ADRD3DRD2SLC6A4
SCHEMBL4830098 0.92 ACHE (0.54) ACHEHTR2ADRD3DRD2SLC6A4
SCHEMBL4837257 0.90 ACHE (0.52) ACHEHTR2ADRD3DRD2SLC6A4
SCHEMBL4830090 0.89 ACHE (0.52) ACHEHTR2ADRD3DRD2SLC6A4
SCHEMBL4838780 0.83 HTR2A (0.54) ACHEHTR2ADRD3DRD2SLC6A4
SCHEMBL4837536 0.81 HTR2A (0.54) ACHEHTR2ADRD3DRD2SLC6A4
SCHEMBL4838263 0.80 HSD11B1 (0.54) HTR2ADRD2SLC6A4HTR7HTR1A
SCHEMBL4839049 0.79 HTR2A (0.53) ACHEHTR2ADRD3DRD2SLC6A4
SCHEMBL4830006 0.78 HTR2A (0.54) ACHEHTR2ADRD3DRD2SLC6A4
SCHEMBL4830089 0.78 HTR2A (0.54) ACHEHTR2ADRD3DRD2SLC6A4

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 ACHE 3053/4885HTR2A 894/4885DRD3 1164/4885

“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.