SCHEMBL4839772

SCHEMBL4839772

Fc1ccc2[nH]cc(C3CCN(CC[C@@H]4NCCc5ccccc54)CC3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.54
OPRK1 P41145 3/20 0.54
OPRL1 P41146 3/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1B P35368 1/20 0.54
HTR1A P08908 8/20 0.54
HTR7 P34969 6/20 0.54
SLC6A4 P31645 8/20 0.52
DRD2 P14416 5/20 0.52
HTR6 P50406 4/20 0.52
HTR2A P28223 3/20 0.51

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
SCHEMBL4839759 1.00 OPRM1 (0.54) OPRM1OPRK1OPRL1ADRA1DADRA1B
SCHEMBL7214486 0.85 OPRM1 (0.56) OPRM1OPRK1OPRL1ADRA1DADRA1B
SCHEMBL7214372 0.81 ADRA1D (0.58) OPRM1OPRK1OPRL1ADRA1DADRA1B
SCHEMBL4835916 0.79 ADRA1D (0.54) OPRM1OPRK1OPRL1ADRA1DADRA1B
SCHEMBL4833089 0.79 HSD11B1 (0.55) OPRM1OPRK1OPRL1ADRA1DADRA1B
SCHEMBL5396886 0.78 ADRA1D (0.82) OPRM1OPRK1OPRL1ADRA1DADRA1B
SCHEMBL4838880 0.77 ADRA1D (0.52) OPRM1OPRK1OPRL1ADRA1DADRA1B
SCHEMBL4833023 0.77 HTR1D (0.54) ADRA1DADRA1BHTR1AHTR7SLC6A4
SCHEMBL4830099 0.77 ADRA1D (0.51) OPRM1OPRK1OPRL1ADRA1DADRA1B
SCHEMBL7529023 0.77 HTR1A (0.64) OPRM1OPRK1OPRL1HTR1AHTR7

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 2 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

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 OPRM1 1618/4885OPRK1 271/4885OPRL1 480/4885

“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.