SCHEMBL4459851

SCHEMBL4459851

COC(=O)c1ccc(Br)c(COc2cccc(CCNC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.43
NQO2 P16083 1/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
LTA4H P09960 1/20 0.39
PLA2G2A P14555 1/20 0.39
KDM5B Q9UGL1 1/20 0.38
CYP2D6 P10635 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL21090363 0.81 CYP4F2 (0.49) NQO2CA1CA2CA7CA9
SCHEMBL2996602 0.80 CYP4F2 (0.59) MRGPRX4NQO2CA2MEN1MAPT
SCHEMBL31539425 0.80 CYP4F2 (0.59) MRGPRX4NQO2CA2MEN1MAPT
SCHEMBL31506266 0.79 CYP2D6 (0.58) NQO2CYP4F2CYP4A11LTA4HPLA2G2A
SCHEMBL67569 0.79 CYP2D6 (0.58) NQO2CYP4F2CYP4A11LTA4HPLA2G2A
SCHEMBL8586218 0.78 MRGPRX4 (0.60) MRGPRX4RAB9ACYP4F2CYP4A11KDM5B
SCHEMBL14110346 0.77 TRPM8 (0.50) NQO2CA1CA2CA9MEN1
SCHEMBL6204579 0.77 MTNR1A (0.58) CA1CA2CA7CA9CA14
SCHEMBL25176751 0.76 NQO2 (0.47) NQO2CA1CA2MEN1MAPT
SCHEMBL30369597 0.76 NQO2 (0.47) NQO2CA1CA2MEN1MAPT

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 MRGPRX4 911/4885NQO2 113/4885CA1 2409/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 MRGPRX4 978/4885NQO2 410/4885CA1 557/4885

“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.