SCHEMBL4838758

SCHEMBL4838758

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.46
DRD2 P14416 2/20 0.44
PRCP P42785 2/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
MEN1 O00255 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4841467 0.84 MCHR1 (0.46) MCHR1DRD2PRCPDRD3
SCHEMBL4839076 0.83 DRD2 (0.51) MCHR1DRD2DRD4MEN1KMT2A
SCHEMBL4839157 0.83 ALDH1A1 (0.52) MCHR1DRD2PRCPMEN1RECQL
SCHEMBL4838819 0.82 NPSR1 (0.53) MCHR1DRD2MEN1RECQLKMT2A
SCHEMBL4836850 0.82 NPSR1 (0.53) MCHR1DRD2MEN1RECQLKMT2A
SCHEMBL4839404 0.81 MCHR1 (0.46) MCHR1DRD2PRCPMEN1RECQL
SCHEMBL4839787 0.81 HTR2A (0.47) DRD2DRD3
SCHEMBL4835945 0.81 MTNR1B (0.40) MCHR1DRD2PRCPDRD3MEN1
SCHEMBL4841563 0.81 DRD2 (0.54) MCHR1DRD2DRD3
SCHEMBL4837481 0.79 KCNH2 (0.42) DRD2DRD3

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 MCHR1 2397/4885DRD2 684/4885PRCP 2420/4885

“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.