SCHEMBL6540893

SCHEMBL6540893

N#CCOc1ccc(S(=O)(=O)c2ccc(CCN(Cc3ccccc3)C[C@H](O)c3cccc(Cl)c3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.43
ADRB3 P13945 9/20 0.40
ADRB1 P08588 5/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
ADRB2 P07550 1/20 0.39
LIMK1 P53667 1/20 0.38
LIMK2 P53671 1/20 0.38
NR3C1 P04150 1/20 0.38
BCHE P06276 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
SCHEMBL6541801 1.00 KCNH2 (0.43) KCNH2ADRB3ADRB1ALDH1A1CYP1A2
SCHEMBL6540841 0.89 KCNH2 (0.47) KCNH2ADRB3ADRB1ALDH1A1CYP1A2
SCHEMBL6540723 0.88 ADRB3 (0.53) KCNH2ADRB3ADRB1ALDH1A1CYP1A2
SCHEMBL6540725 0.88 ADRB3 (0.53) KCNH2ADRB3ADRB1ALDH1A1CYP1A2
SCHEMBL6540720 0.88 ADRB3 (0.53) KCNH2ADRB3ADRB1ALDH1A1CYP1A2
SCHEMBL6540670 0.85 OPRK1 (0.43) KCNH2ADRB3ADRB1CA12CA1
SCHEMBL6540564 0.85 OPRK1 (0.43) KCNH2ADRB3ADRB1CA12CA1
SCHEMBL6540568 0.85 OPRK1 (0.43) KCNH2ADRB3ADRB1CA12CA1
SCHEMBL6540226 0.85 ADRB3 (0.44) KCNH2ADRB3ADRB1CA12CA1
SCHEMBL6553145 0.85 KCNH2 (0.42) KCNH2ADRB3ADRB1ALDH1A1CYP1A2

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-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 KCNH2 211/4885ADRB3 58/4885ADRB1 7/4885

“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.