SCHEMBL8225836

SCHEMBL8225836

C[C@@H](COc1cccc(-c2ccccc2)c1O)CN(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ADRB2 P07550 4/20 0.41
▸ ADRB1 P08588 2/20 0.41
▸ ABCB1 P08183 2/20 0.39
▸ CHEK1 O14757 1/20 0.38
▸ ADRA2A P08913 3/20 0.38
▸ ADRA2B P18089 3/20 0.38
▸ ADRA2C P18825 3/20 0.38
▸ MAOA P21397 3/20 0.38
▸ MAOB P27338 3/20 0.38
▸ NISCH Q9Y2I1 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
SCHEMBL8220954 0.85 HTR7 (0.46) HTR7KDM4EALDH1A1SMN1; SMN2ADRB2
SCHEMBL7577244 0.75 ALDH1A1 (0.51) HTR7ALDH1A1ADRB2
Bromide SCHEMBL11618683 0.74 PTGDR2 (0.51) HTR7KDM4EALDH1A1ADRB2ADRB1
SCHEMBL11337004 0.73 ABCB1 (0.53) KDM4EALDH1A1ABCB1
SCHEMBL8226025 0.73 HTR1A (0.51) KDM4EADRB2ADRB1ABCB1
SCHEMBL4744929 0.73 TP53 (0.51) HTR7KDM4EALDH1A1SMN1; SMN2ADRB2
SCHEMBL8315378 0.72 HTR1A (0.37) SMN1; SMN2ABCB1ADRA2AADRA2BADRA2C
SCHEMBL11806905 0.71 ABCB1 (0.51) ADRB2ADRB1ABCB1
SCHEMBL14076211 0.71 LMNA (0.55) ALDH1A1SMN1; SMN2ADRB2ADRB1ADRA2A
SCHEMBL27377174 0.70 RXRA (0.56) —

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-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2007-11-01 — — US disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 — — 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-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A HTR7 34/4885KDM4E 2229/4885ALDH1A1 814/4885
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof TBXA2R, HTR2C, NPY1R HTR7 37/4885KDM4E 2362/4885ALDH1A1 809/4885

“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.

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