SCHEMBL4833133

SCHEMBL4833133

O=C(c1ccc(F)cc1)N1CCc2c(Cl)cccc2C1CCN1CCC(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.46
CHRM4 P08173 1/20 0.41
CCR2 P41597 5/20 0.40
HSD11B1 P28845 1/20 0.40
USP5 P45974 1/20 0.40
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
HTR2A P28223 2/20 0.39
DRD3 P35462 2/20 0.39
CCR5 P51681 2/20 0.38
TACR1 P25103 1/20 0.38
MTNR1B P49286 1/20 0.37
DRD4 P21917 1/20 0.37
GRM2 Q14416 1/20 0.37

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
SCHEMBL4830201 0.93 DRD2 (0.45) DRD2CHRM4CCR2HSD11B1USP5
SCHEMBL4830071 0.92 DRD2 (0.47) DRD2CHRM4CCR2HSD11B1USP5
SCHEMBL4837219 0.90 DRD2 (0.46) DRD2CHRM4CCR2HSD11B1USP5
SCHEMBL4837310 0.88 DRD2 (0.48) DRD2CHRM4CCR2CCR5TACR1
SCHEMBL4835979 0.86 DRD2 (0.48) DRD2CHRM4CCR2USP5DCUN1D1
SCHEMBL4837566 0.80 DRD2 (0.46) DRD2CHRM4CCR2USP5DCUN1D1
SCHEMBL4837124 0.80 DRD2 (0.48) DRD2CHRM4CCR2USP5HTR2A
SCHEMBL4833114 0.80 HTR1D (0.51) DRD2
SCHEMBL4832880 0.79 DRD2 (0.47) DRD2CHRM4CCR2USP5MTNR1B
SCHEMBL4838780 0.79 HTR2A (0.54) DRD2HTR2ADRD3

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 2171/4885CCR2 2042/4885

“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.