SCHEMBL18864155

SCHEMBL18864155

COc1ccc2c(c1CN1CC[C@H](NC(=O)O)C1)OCC2=O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 14/20 0.43
▸ DRD2 P14416 2/20 0.43
▸ MCHR1 Q99705 2/20 0.41
▸ DRD3 P35462 2/20 0.40
▸ CD274 Q9NZQ7 1/20 0.40
▸ SIGMAR1 Q99720 3/20 0.39
▸ TSHR P16473 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
SCHEMBL18864135 1.00 DRD4 (0.43) DRD4DRD2MCHR1DRD3CD274
SCHEMBL18864137 1.00 DRD4 (0.43) DRD4DRD2MCHR1DRD3CD274
SCHEMBL18864042 0.94 MCHR1 (0.46) DRD4DRD2MCHR1DRD3CD274
SCHEMBL18864046 0.94 MCHR1 (0.46) DRD4DRD2MCHR1DRD3CD274
SCHEMBL18890852 0.88 KDM4D (0.42) DRD4DRD2
SCHEMBL18890845 0.83 MCHR1 (0.41) DRD4DRD2MCHR1DRD3CD274
SCHEMBL18864029 0.82 POLB (0.39) CD274
SCHEMBL18864026 0.82 POLB (0.39) CD274
SCHEMBL18864070 0.79 PTGDR2 (0.36) DRD2DRD3TSHR
SCHEMBL18864116 0.79 PTGDR2 (0.36) DRD2DRD3TSHR

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-20170145005-A1 KINASE INHIBITOR THE UNIVERSITY OF TOKYO (JP) 2017-05-25 — — 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-20170145005-A1 KINASE INHIBITOR PIM3, PIM1, PIM2 DRD4 4675/4885DRD2 4629/4885MCHR1 3515/4885

“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.

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