SCHEMBL4839747

SCHEMBL4839747

O=C(NCCc1ccccc1)N1CCc2ccccc2C1CCN1CCC(c2c[nH]c3ccc(F)cc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.47
ADRA1B P35368 1/20 0.47
SLC6A4 P31645 8/20 0.47
HTR1A P08908 8/20 0.46
HTR7 P34969 6/20 0.46
HTR6 P50406 5/20 0.46
DRD2 P14416 4/20 0.46
HTR1F P30939 1/20 0.46
HTR1D P28221 1/20 0.46
HTR2A P28223 3/20 0.45
CHRM4 P08173 1/20 0.45
KCNH2 Q12809 2/20 0.45

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
SCHEMBL4837783 0.89 ADRA1D (0.49) ADRA1DADRA1BSLC6A4HTR1AHTR7
SCHEMBL4835916 0.88 ADRA1D (0.54) ADRA1DADRA1BSLC6A4HTR1AHTR7
SCHEMBL4838880 0.85 ADRA1D (0.52) ADRA1DADRA1BSLC6A4HTR1AHTR7
SCHEMBL4833023 0.84 HTR1D (0.54) ADRA1DADRA1BSLC6A4HTR1AHTR7
SCHEMBL4830099 0.83 ADRA1D (0.51) ADRA1DADRA1BSLC6A4HTR1AHTR7
SCHEMBL4833089 0.83 HSD11B1 (0.55) ADRA1DADRA1BSLC6A4HTR1AHTR7
SCHEMBL4837651 0.81 ADRA1D (0.49) ADRA1DADRA1BSLC6A4HTR1AHTR7
SCHEMBL4839681 0.81 SLC6A4 (0.49) ADRA1DADRA1BSLC6A4HTR1AHTR7
SCHEMBL7529023 0.79 HTR1A (0.64) SLC6A4HTR1AHTR7HTR6DRD2
Hydrochloric Acid SCHEMBL9030489 0.78 HTR1A (0.63) ADRA1DSLC6A4HTR1AHTR7HTR6

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 ADRA1D 158/4885ADRA1B 185/4885SLC6A4 276/4885

“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.