SCHEMBL18864020

SCHEMBL18864020

COc1ccc2c(c1CN1CCN(C(=O)O)C[C@@H]1C)OCC2=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ HSD17B10 Q99714 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CHRM1 P11229 1/20 0.32
▸ CNR1 P21554 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ PSMB5 P28074 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.31
▸ LTB4R Q15722 1/20 0.31
▸ LTB4R2 Q9NPC1 1/20 0.31

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
SCHEMBL18864027 1.00 MAPT (0.35) MAPTALDH1A1DRD3CYP2C9MRGPRX4
SCHEMBL18864022 1.00 MAPT (0.35) MAPTALDH1A1DRD3CYP2C9MRGPRX4
SCHEMBL18890841 0.88 USP30 (0.39) ALDH1A1
SCHEMBL18863974 0.87 PSMB5 (0.41) MAPTALDH1A1KDM4EHPGDCHRM1
SCHEMBL18864031 0.87 PSMB5 (0.41) MAPTALDH1A1KDM4EHPGDCHRM1
SCHEMBL18863973 0.87 PSMB5 (0.41) MAPTALDH1A1KDM4EHPGDCHRM1
SCHEMBL18864116 0.80 PTGDR2 (0.36) MAPTALDH1A1DRD3MRGPRX4HSD17B10
SCHEMBL18864070 0.80 PTGDR2 (0.36) MAPTALDH1A1DRD3MRGPRX4HSD17B10
SCHEMBL18864067 0.80 PTGDR2 (0.36) MAPTALDH1A1DRD3MRGPRX4HSD17B10
SCHEMBL18864002 0.77 PDE4B (0.39) —

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 MAPT 2447/4885ALDH1A1 2231/4885DRD3 4279/4885

“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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