SCHEMBL7028696

SCHEMBL7028696

COC(=O)Nc1cccc(C(O)(CCNC[C@H](O)COc2ccccc2)c2cccc(NC(=O)OC)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 11/20 0.50
ADRB3 P13945 10/20 0.50
ADRB2 P07550 6/20 0.49
ATM Q13315 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
MEN1 O00255 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL7024944 0.88 ADRB1 (0.50) ADRB1ADRB3ADRB2ATMKDM4E
SCHEMBL7027312 0.81 MEN1 (0.65) ADRB1ADRB3ADRB2ATMCYP1A2
SCHEMBL7032501 0.80 ALDH1A1 (0.51) ADRB1ADRB3ALDH1A1CYP1A2CYP2D6
SCHEMBL7028479 0.79 RXFP1 (0.42) ATMKDM4EMEN1KMT2A
SCHEMBL7608531 0.79 ADRB1 (0.42) ADRB1ADRB3ADRB2KDM4EALDH1A1
SCHEMBL6320450 0.78 CASR (0.58) ADRB1ADRB3ADRB2ATMKDM4E
SCHEMBL6326406 0.78 CASR (0.58) ADRB1ADRB3ADRB2ATMKDM4E
SCHEMBL7033981 0.75 MEN1 (0.70) ADRB1ADRB3ADRB2ATMMEN1
SCHEMBL6327240 0.75 MEN1 (0.70) ADRB1ADRB3ADRB2ATMMEN1
Hydrochloric Acid SCHEMBL7027080 0.74 MEN1 (0.68) ADRB1ADRB3ADRB2MEN1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030032834-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-02-13 US disclosed
EP-1257528-A1 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-20 EP disclosed
WO-2001060786-A1 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO 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-20030032834-A1 Aminoalcohol derivatives ADRB1, ADRB2, ADRB3 ADRB1 1/4885ADRB3 3/4885ADRB2 2/4885

“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.