SCHEMBL4839404

SCHEMBL4839404

O=C(C1CC1(Cl)Cl)N1CCc2ccccc2C1CCN1CCC(c2ccc(Cl)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.46
DRD2 P14416 1/20 0.41
OPRK1 P41145 1/20 0.41
MEN1 O00255 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
PRCP P42785 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
SCHEMBL4839157 0.87 ALDH1A1 (0.52) MCHR1DRD2OPRK1MEN1RECQL
SCHEMBL4836850 0.86 NPSR1 (0.53) MCHR1DRD2OPRK1MEN1RECQL
SCHEMBL4838819 0.86 NPSR1 (0.53) MCHR1DRD2OPRK1MEN1RECQL
SCHEMBL4830091 0.84 DRD2 (0.47) MCHR1DRD2OPRK1MEN1KMT2A
SCHEMBL4837162 0.82 DRD2 (0.40) DRD2
SCHEMBL4838758 0.81 MCHR1 (0.46) MCHR1DRD2MEN1RECQLKMT2A
SCHEMBL4841563 0.81 DRD2 (0.54) MCHR1DRD2
SCHEMBL4841467 0.80 MCHR1 (0.46) MCHR1DRD2PRCP
SCHEMBL4833495 0.79 ALDH1A1 (0.55)
SCHEMBL4835975 0.78 NPSR1 (0.57)

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 8 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
EP-1458714-A1 3,4-DIHYDRO-1H-ISOQUINOLOIN-2-YL-DERIVATIVES H. Lundbeck A/S (DK) 2004-09-22 EP claimed
WO-2003051869-A1 3,4-DIHYDRO-1H-ISOQUINOLOIN-2-YL-DERIVATIVES H. LUNDBECK A/S (DK) 2003-06-26 WO 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 684/4885OPRK1 271/4885

“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.