SCHEMBL8220954

SCHEMBL8220954

Cc1c(OC[C@H](C)CN(C)C)cccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.42
▸ ADRB2 P07550 4/20 0.42
▸ ADRB1 P08588 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CD274 Q9NZQ7 3/20 0.40
▸ PDCD1 Q15116 1/20 0.40
▸ ADRA2A P08913 3/20 0.39
▸ ADRA2B P18089 3/20 0.39
▸ ADRA2C P18825 3/20 0.39
▸ MAOA P21397 3/20 0.39
▸ MAOB P27338 3/20 0.39
▸ NISCH Q9Y2I1 1/20 0.39
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL8226025 0.85 HTR1A (0.51) KDM4EADRB2ADRB1CD274
SCHEMBL8225836 0.85 HTR7 (0.44) HTR7KDM4EADRB2ADRB1ALDH1A1
SCHEMBL14364260 0.84 MCHR1 (0.45) HTR7KDM4EADRB2ADRB1CD274
Bromide SCHEMBL11618683 0.75 PTGDR2 (0.51) HTR7KDM4EADRB2ADRB1ALDH1A1
SCHEMBL29997360 0.74 PDCD1 (0.50) HTR7KDM4EADRB2ALDH1A1SMN1; SMN2
SCHEMBL8315378 0.73 HTR1A (0.37) SMN1; SMN2ADRA2AADRA2BADRA2CTDP1
SCHEMBL14076211 0.72 LMNA (0.55) ADRB2ADRB1ALDH1A1SMN1; SMN2ADRA2A
SCHEMBL11337004 0.71 ABCB1 (0.53) KDM4EALDH1A1TDP1
SCHEMBL19086327 0.71 MAPT (0.73) SMN1; SMN2CD274PDCD1MAPTMAPK1
SCHEMBL27315842 0.71 ADRB2 (0.51) HTR7KDM4EADRB2ADRB1ALDH1A1

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 2229/4885ADRB2 18/4885
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof TBXA2R, HTR2C, NPY1R HTR7 37/4885KDM4E 2362/4885ADRB2 28/4885

“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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