SCHEMBL4837566

SCHEMBL4837566

O=C(C1CCCC1)N1CCc2c(ccc(Cl)c2Cl)C1CCN1CCC(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.46
CHRM4 P08173 1/20 0.43
GRM2 Q14416 2/20 0.39
CNR1 P21554 1/20 0.38
DRD4 P21917 1/20 0.38
CCR5 P51681 1/20 0.37
USP5 P45974 1/20 0.37
POLB P06746 1/20 0.36
SLC6A9 P48067 1/20 0.36
CCR2 P41597 1/20 0.36
DRD3 P35462 2/20 0.35
MCHR1 Q99705 1/20 0.35
DCUN1D1 Q96GG9 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
SCHEMBL4835979 0.94 DRD2 (0.48) DRD2CHRM4GRM2CNR1DRD4
SCHEMBL4837124 0.89 DRD2 (0.48) DRD2CHRM4GRM2CNR1DRD4
SCHEMBL4830011 0.88 DRD2 (0.47) DRD2CHRM4GRM2CNR1DRD4
SCHEMBL4830201 0.86 DRD2 (0.45) DRD2CHRM4GRM2CCR5USP5
SCHEMBL4841324 0.85 DRD2 (0.49) DRD2CHRM4GRM2DRD4POLB
SCHEMBL4837068 0.84 NPSR1 (0.49) DRD2CHRM4GRM2CNR1DRD4
SCHEMBL4839067 0.84 NPSR1 (0.49) DRD2CHRM4GRM2CNR1DRD4
SCHEMBL4833133 0.80 DRD2 (0.46) DRD2CHRM4GRM2DRD4CCR5
SCHEMBL4836800 0.78 DRD2 (0.47) DRD2CHRM4GRM2CNR1DRD4
SCHEMBL4839580 0.77 HSD11B1 (0.52) DRD2

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 DRD2 684/4885CHRM4 2171/4885GRM2 1402/4885

“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.