SCHEMBL22764033

SCHEMBL22764033

O=C1CCC(=O)N1CC(O)c1ccc(O)c(CO)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.50
ADRB1 P08588 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
HIF1A Q16665 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
PMP22 Q01453 1/20 0.46

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
SCHEMBL22764036 1.00 ADRB2 (0.50) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL22764031 0.85 MAPT (0.50) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL14291852 0.72 ADRB2 (0.62) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL19236388 0.72 ADRB2 (0.62) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL1311067 0.72 ADRB2 (0.59) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL2852257 0.72 ADRB2 (0.67) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL7152531 0.72 ADRB2 (0.67) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL6462710 0.72 ADRB2 (0.59) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL1311066 0.72 ADRB2 (0.59) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL22763954 0.70 SMN1; SMN2 (0.52) TSHRTDP1

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-11053227-B2 Process for preparing intermediates for the synthesis of optically active beta-amino alcohols by enzymatic reduction and novel synthesis intermediates OLON S.P.A. (IT) 2021-07-06 US disclosed
US-20200385366-A1 PROCESS FOR PREPARING INTERMEDIATES FOR THE SYNTHESIS OF OPTICALLY ACTIVE BETA-AMINO ALCOHOLS BY ENZYMATIC REDUCTION AND NOVEL SYNTHESIS INTERMEDIATES OLON S.P.A. (IT) 2020-12-10 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 (2 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-20200385366-A1 PROCESS FOR PREPARING INTERMEDIATES FOR THE SYNTHESIS OF OPTICALLY ACTIVE BETA-AMINO ALCOHOLS BY ENZYMATIC REDUCTION AND NOVEL SYNTHESIS INTERMEDIATES ADH1A, ADH1C, ADH5 ADRB2 416/4885ADRB1 233/4885CYP1A2 37/4885
US-11053227-B2 Process for preparing intermediates for the synthesis of optically active beta-amino alcohols by enzymatic reduction and novel synthesis intermediates ADH1A, ADH1C, ADH5 ADRB2 416/4885ADRB1 233/4885CYP1A2 37/4885

“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.