SCHEMBL19557165

SCHEMBL19557165

COC(=O)C1CN(CC(=O)OCc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CPB1 P15086 1/20 0.44
▸ CYP2C9 P11712 3/20 0.44
▸ CYP2C19 P33261 3/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ FKBP1A P62942 1/20 0.44

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
SCHEMBL23054258 0.86 S1PR5 (0.57) ALDH1A1MAPK1L3MBTL1SMN1; SMN2NPC1
SCHEMBL19778180 0.86 HPGD (0.44) ALDH1A1MAPK1L3MBTL1HTTSMN1; SMN2
SCHEMBL26452696 0.85 CPB1 (0.45) LTA4HALDH1A1MAPK1L3MBTL1CPB1
SCHEMBL23734315 0.83 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1SMN1; SMN2NPC1
SCHEMBL19966271 0.81 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1SMN1; SMN2NPC1
SCHEMBL18746181 0.81 CPB1 (0.43) ALDH1A1MAPK1L3MBTL1HTTSMN1; SMN2
SCHEMBL630153 0.81 SMN1; SMN2 (0.60) ALDH1A1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL14446963 0.80 ALDH1A1 (0.52) ALDH1A1MAPK1L3MBTL1HTTSMN1; SMN2
SCHEMBL6616917 0.80 S1PR5 (0.60) LTA4HALDH1A1HPGDMAPTNPSR1
SCHEMBL15447240 0.80 POLB (0.51) ALDH1A1MAPK1L3MBTL1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180016265-A1 AMINOESTER DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-18 — — US disclosed
US-9809582-B2 Aminoester derivatives CHIESI FARMACEUTICI S.P.A. (IT) 2017-11-07 — — 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-20180016265-A1 AMINOESTER DERIVATIVES PDE4A, PDE3A, PDE3B LTA4H 40/4885ALDH1A1 351/4885MAPK1 2470/4885

“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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