SCHEMBL4837728

SCHEMBL4837728

O=C(C1CCCC1)N1CCc2c(Cl)cccc2C1CCN1CCC(c2c[nH]c3ccc(F)cc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.53
OPRM1 P35372 2/20 0.49
OPRK1 P41145 2/20 0.49
OPRL1 P41146 2/20 0.49
HTR1D P28221 7/20 0.46
HTR1A P08908 6/20 0.46
SLC6A4 P31645 4/20 0.46
HTR7 P34969 4/20 0.45
DRD2 P14416 3/20 0.45
HTR6 P50406 2/20 0.45
HTR2A P28223 1/20 0.44
HTR1B P28222 4/20 0.44
CHRM2 P08172 1/20 0.44

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
SCHEMBL4839580 0.93 HSD11B1 (0.52) HSD11B1OPRM1OPRK1OPRL1HTR1D
SCHEMBL4838263 0.93 HSD11B1 (0.54) HSD11B1OPRM1OPRK1OPRL1HTR1D
SCHEMBL4832816 0.90 HSD11B1 (0.54) HSD11B1OPRM1OPRK1OPRL1HTR1D
SCHEMBL4833114 0.89 HTR1D (0.51) OPRM1OPRK1OPRL1HTR1DHTR1A
SCHEMBL4833089 0.88 HSD11B1 (0.55) HSD11B1OPRM1OPRK1OPRL1HTR1D
SCHEMBL4830266 0.81 HTR1D (0.51) OPRM1OPRK1OPRL1HTR1DHTR1A
SCHEMBL4833701 0.81 HTR1D (0.53) OPRM1OPRK1OPRL1HTR1DHTR1A
SCHEMBL4839037 0.80 ACHE (0.53) HTR1ASLC6A4HTR7DRD2HTR6
SCHEMBL4835916 0.78 ADRA1D (0.54) OPRM1OPRK1OPRL1HTR1DHTR1A
SCHEMBL4838358 0.78 HTR1D (0.53) OPRM1OPRK1OPRL1HTR1DHTR1A

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 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

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 HSD11B1 1314/4885OPRM1 1618/4885OPRK1 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.