SCHEMBL4833087

SCHEMBL4833087

CC(C)(C)OC(=O)N1CCc2ccccc2C1CCBr

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.48
DRD1 P21728 1/20 0.42
PRMT5 O14744 3/20 0.41
WDR77 Q9BQA1 3/20 0.41
DRD2 P14416 3/20 0.41
GHSR Q92847 3/20 0.41
ACE P12821 1/20 0.41
OPRD1 P41143 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MTNR1A P48039 1/20 0.40

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
SCHEMBL19363960 0.93 MTNR1B (0.44) MTNR1BDRD1PRMT5WDR77DRD2
SCHEMBL4839514 0.89 MTNR1B (0.46) MTNR1BDRD1PRMT5WDR77DRD2
SCHEMBL30429107 0.89 MTNR1B (0.46) MTNR1BDRD1PRMT5WDR77DRD2
SCHEMBL30645340 0.89 MTNR1B (0.46) MTNR1BDRD1PRMT5WDR77DRD2
SCHEMBL31032732 0.88 MTNR1B (0.46) MTNR1BDRD1PRMT5WDR77DRD2
SCHEMBL30428513 0.87 MTNR1B (0.45) MTNR1BDRD1PRMT5WDR77DRD2
SCHEMBL30558539 0.86 MEN1 (0.50) MTNR1BDRD1PRMT5WDR77DRD2
SCHEMBL18066403 0.86 MEN1 (0.50) MTNR1BDRD1PRMT5WDR77DRD2
SCHEMBL4664862 0.86 MEN1 (0.50) MTNR1BDRD1PRMT5WDR77DRD2
SCHEMBL12162581 0.86 MTNR1B (0.48) MTNR1BDRD1PRMT5WDR77DRD2

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 disclosed
US-20050070713-A1 3 4-Dihydro-1h-isoquinoloin-2-yl-derivatives H. LUNDBECK A/S (DK) 2005-03-31 US disclosed
EP-1458714-A1 3,4-DIHYDRO-1H-ISOQUINOLOIN-2-YL-DERIVATIVES H. Lundbeck A/S (DK) 2004-09-22 EP disclosed
WO-2003051869-A1 3,4-DIHYDRO-1H-ISOQUINOLOIN-2-YL-DERIVATIVES H. LUNDBECK A/S (DK) 2003-06-26 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-20050070713-A1 3 4-Dihydro-1h-isoquinoloin-2-yl-derivatives KCNJ2, KCNK2, KCNJ11 MTNR1B 621/4885DRD1 1500/4885PRMT5 3936/4885

“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.