SCHEMBL4838989

SCHEMBL4838989

O=C(c1ccc(F)cc1)N1CCc2ccccc2C1CCN1CCC(c2cccc(F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.46
PARP10 Q53GL7 1/20 0.43
MCHR1 Q99705 2/20 0.43
DRD4 P21917 1/20 0.42
HTR2C P28335 4/20 0.42
CHRM4 P08173 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
CHRM3 P20309 1/20 0.41
DRD3 P35462 2/20 0.40
HTR1A P08908 1/20 0.40
TP53 P04637 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL4837767 0.93 DRD2 (0.54) DRD2MCHR1HTR2CNPC1RAB9A
SCHEMBL4837310 0.91 DRD2 (0.48) DRD2DRD4CHRM4
SCHEMBL4841563 0.87 DRD2 (0.54) DRD2MCHR1DRD3HTR1AHTR2A
SCHEMBL4830056 0.85 NPSR1 (0.49) DRD4CHRM4ATM
SCHEMBL4833070 0.85 MCHR1 (0.45) DRD2MCHR1HTR2CNPC1RAB9A
SCHEMBL4839490 0.83 HTR2A (0.47) DRD2DRD4HTR2CDRD3HTR1A
SCHEMBL4833023 0.83 HTR1D (0.54) DRD2HTR1A
SCHEMBL4830089 0.81 HTR2A (0.54) DRD2HTR2CDRD3HTR1AHTR2A
SCHEMBL4832880 0.81 DRD2 (0.47) DRD2DRD4CHRM4
SCHEMBL4838880 0.79 ADRA1D (0.52) DRD2HTR1A

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 684/4885PARP10 2706/4885MCHR1 2397/4885

“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.