SCHEMBL18864070

SCHEMBL18864070

COc1ccc2c(c1CN1CCN(C(=O)O)C(C)C1)OCC2=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 8/20 0.36
▸ MAPT P10636 3/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CCR1 P32246 3/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ TACR1 P25103 2/20 0.34
▸ FPR3 P25089 1/20 0.33
▸ GPR65 Q8IYL9 1/20 0.33
▸ GPR35 Q9HC97 1/20 0.33

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
SCHEMBL18864067 1.00 PTGDR2 (0.36) PTGDR2MAPTDRD2DRD3MRGPRX4
SCHEMBL18864116 1.00 PTGDR2 (0.36) PTGDR2MAPTDRD2DRD3MRGPRX4
SCHEMBL18864020 0.80 MAPT (0.35) MAPTDRD3MRGPRX4ALDH1A1LMNA
SCHEMBL18864027 0.80 MAPT (0.35) MAPTDRD3MRGPRX4ALDH1A1LMNA
SCHEMBL18864022 0.80 MAPT (0.35) MAPTDRD3MRGPRX4ALDH1A1LMNA
SCHEMBL18864137 0.79 DRD4 (0.43) DRD2DRD3TSHR
SCHEMBL18864155 0.79 DRD4 (0.43) DRD2DRD3TSHR
SCHEMBL18864135 0.79 DRD4 (0.43) DRD2DRD3TSHR
SCHEMBL18864029 0.78 POLB (0.39) MRGPRX4ALDH1A1LMNA
SCHEMBL18864026 0.78 POLB (0.39) MRGPRX4ALDH1A1LMNA

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 PTGDR2 4609/4885MAPT 2447/4885DRD2 4629/4885

“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.

Send feedback