SCHEMBL4464277

SCHEMBL4464277

O=C(O)N(CCc1ccc(O)cc1)C[C@H](O)c1cncc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLI1 P08151 2/20 0.38
GLI2 P10070 2/20 0.38
CYP51A1 Q16850 6/20 0.38
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
PIN1 Q13526 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL4464282 1.00 GLI1 (0.38) GLI1GLI2CYP51A1GRIN1GRIN2B
SCHEMBL27635152 0.84 CYP51A1 (0.37) GLI1GLI2CYP51A1GRIN1GRIN2B
SCHEMBL4465914 0.84 GLI1 (0.47) GLI1GLI2ADRB1ADRB3
SCHEMBL4465920 0.84 GLI1 (0.47) GLI1GLI2ADRB1ADRB3
SCHEMBL4558402 0.81 CYP51A1 (0.47) GLI1GLI2CYP51A1ADRB1ADRB3
SCHEMBL4558403 0.81 CYP51A1 (0.47) GLI1GLI2CYP51A1ADRB1ADRB3
SCHEMBL4478735 0.81 ADRB3 (0.51) GLI1GLI2ADRB1ADRB3
SCHEMBL4478737 0.81 ADRB3 (0.51) GLI1GLI2ADRB1ADRB3
SCHEMBL4472391 0.81 ADRB3 (0.47) GLI1GLI2ADRB1ADRB3
SCHEMBL4472389 0.81 ADRB3 (0.47) GLI1GLI2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629366-B2 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20060100252-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2006-05-11 US disclosed
US-7037938-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2006-05-02 US disclosed
EP-1546086-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-29 EP disclosed
WO-2004002939-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 WO disclosed
US-20040006143-A1 For therapy of urinary incontinence FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 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-20060100252-A1 Aminoalcohol derivatives H1-0, CHRM2, CHRM1 GLI1 3975/4885GLI2 3319/4885CYP51A1 1727/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 GLI1 1244/4885GLI2 1428/4885CYP51A1 1390/4885

“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.