SCHEMBL4835945

SCHEMBL4835945

CC(CC(=O)N1CCc2ccccc2C1CCN1CCC(c2ccc(C(C)C)cc2)CC1)CC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.40
PRCP P42785 6/20 0.38
DRD2 P14416 2/20 0.37
HTR2A P28223 1/20 0.37
DRD3 P35462 1/20 0.37
HHAT Q5VTY9 3/20 0.35
OPRD1 P41143 2/20 0.35
MCHR1 Q99705 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2D6 P10635 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35

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
SCHEMBL4838912 0.85 DRD2 (0.46) DRD2OPRD1MCHR1MEN1KMT2A
SCHEMBL4835911 0.82 NPSR1 (0.49) MTNR1BPRCPMCHR1
SCHEMBL4835870 0.81 NPSR1 (0.51) MTNR1BPRCPCYP2D6
SCHEMBL4832812 0.81 KCNH2 (0.38) MTNR1BDRD2HTR2A
SCHEMBL4838758 0.81 MCHR1 (0.46) PRCPDRD2DRD3MCHR1MEN1
SCHEMBL4833432 0.78 MTNR1B (0.40) MTNR1BDRD2HHATOPRD1CYP2D6
SCHEMBL4841467 0.72 MCHR1 (0.46) PRCPDRD2HTR2ADRD3MCHR1
SCHEMBL4839076 0.72 DRD2 (0.51) DRD2OPRD1MCHR1MEN1KMT2A
SCHEMBL4839157 0.72 ALDH1A1 (0.52) MTNR1BPRCPDRD2MCHR1MEN1
SCHEMBL4838819 0.71 NPSR1 (0.53) MTNR1BDRD2MCHR1MEN1KMT2A

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
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
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 621/4885PRCP 2420/4885DRD2 684/4885

“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.