SCHEMBL18890845

SCHEMBL18890845

COc1ccc2c(c1CN1CCC[C@H](NC(=O)OC(C)(C)C)C1)OCC2=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 4/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ DDR1 Q08345 4/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE11A Q9HCR9 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ KDM4D Q6B0I6 1/20 0.40
▸ PDCD1LG2 Q9BQ51 1/20 0.39
▸ CD274 Q9NZQ7 1/20 0.39
▸ MAP4K4 O95819 2/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ CFTR P13569 1/20 0.38
▸ BTK Q06187 1/20 0.38

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
SCHEMBL18890852 0.95 KDM4D (0.42) DDR1PDE4BPDE11APDE10AKDM4D
SCHEMBL18864042 0.88 MCHR1 (0.46) MCHR1PDCD1LG2CD274DRD2DRD4
SCHEMBL18864046 0.88 MCHR1 (0.46) MCHR1PDCD1LG2CD274DRD2DRD4
SCHEMBL18890847 0.83 MCHR1 (0.42) MCHR1CA1CA2DDR1KDM4D
SCHEMBL18864135 0.83 DRD4 (0.43) MCHR1CD274DRD2DRD4DRD3
SCHEMBL18864155 0.83 DRD4 (0.43) MCHR1CD274DRD2DRD4DRD3
SCHEMBL18864137 0.83 DRD4 (0.43) MCHR1CD274DRD2DRD4DRD3
SCHEMBL17076312 0.79 MAPK1 (0.53) —
SCHEMBL17076311 0.79 MAPK1 (0.53) —
SCHEMBL14734906 0.77 CHRM2 (0.41) PDE4BPDE11APDE10ACD274CFTR

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 MCHR1 3515/4885CA1 4164/4885CA2 2402/4885

“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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