SCHEMBL4839745

SCHEMBL4839745

O=C(c1ccc2nonc2c1)N1CCc2ccccc2C1CCN1CCC(c2ccc(Cl)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.46
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL4833361 0.86 TRPM8 (0.44) MCHR1NPSR1DRD2
SCHEMBL4837834 0.84 HTR1D (0.41) DRD2
SCHEMBL4841563 0.84 DRD2 (0.54) MCHR1DRD2
SCHEMBL4839710 0.81 HSD11B1 (0.38)
SCHEMBL4837767 0.78 DRD2 (0.54) MCHR1ALDH1A1DRD2
SCHEMBL4839157 0.78 ALDH1A1 (0.52) MCHR1ALDH1A1NPSR1DRD2
SCHEMBL4836850 0.77 NPSR1 (0.53) MCHR1ALDH1A1NPSR1DRD2
SCHEMBL4838819 0.77 NPSR1 (0.53) MCHR1ALDH1A1NPSR1DRD2
SCHEMBL4838758 0.76 MCHR1 (0.46) MCHR1DRD2
SCHEMBL4839404 0.76 MCHR1 (0.46) MCHR1DRD2

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 MCHR1 2397/4885ALDH1A1 639/4885HTT 4100/4885

“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.