SCHEMBL6329957

SCHEMBL6329957

O=C(O)CCc1ccc2c(c1)OCC(=O)N2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.53
DRD3 P35462 9/20 0.53
DRD2 P14416 8/20 0.53
PARP1 P09874 3/20 0.49
HTR1A P08908 2/20 0.48
CHRM5 P08912 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
HTR2A P28223 1/20 0.48
ADRA1B P35368 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
SLC6A4 P31645 1/20 0.45
KCNH2 Q12809 1/20 0.45
NR3C2 P08235 1/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 1/20 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
SCHEMBL20424472 0.86 DRD4 (0.55) DRD4DRD3DRD2PARP1HTR1A
SCHEMBL6329420 0.84 DRD4 (0.50) DRD4DRD3DRD2PARP1HTR1A
SCHEMBL8195715 0.81 PARP1 (0.60) DRD4DRD3DRD2PARP1HTR1A
SCHEMBL9437792 0.81 DRD4 (0.53) DRD4DRD3DRD2PARP1HTR1A
SCHEMBL9437789 0.81 DRD4 (0.53) DRD4DRD3DRD2PARP1HTR1A
SCHEMBL10642401 0.81 PARP1 (0.60) DRD4DRD3DRD2PARP1NR3C2
SCHEMBL3777130 0.81 DRD4 (0.55) DRD4DRD3DRD2PARP1HTR1A
SCHEMBL8191537 0.78 DRD4 (0.55) DRD4DRD3DRD2PARP1HTR1A
SCHEMBL2056366 0.78 PARP1 (0.77) DRD4DRD3DRD2PARP1HTR1A
SCHEMBL6717655 0.77 DRD4 (0.50) DRD4DRD3DRD2PARP1HTR1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209274-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABOTT LABORATORIES 2005-09-22 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-20050209274-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R DRD4 397/4885DRD3 336/4885DRD2 216/4885

“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.