SCHEMBL8226025

SCHEMBL8226025

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

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.51
▸ ABCB1 P08183 2/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ ADRB2 P07550 4/20 0.49
▸ CYP2D6 P10635 4/20 0.49
▸ ADRB1 P08588 3/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CD274 Q9NZQ7 1/20 0.48
▸ HTR2A P28223 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.46

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) ADRB2ADRB1CD274KDM4E
SCHEMBL11480301 0.77 ADRB2 (0.56) ABCB1ADRB2CYP2D6ADRB1CYP1A2
SCHEMBL21793185 0.74 HIF1A (0.59) HTR1AABCB1HIF1AADRB2CYP2D6
SCHEMBL10336594 0.74 NR2E1 (0.69) HTR1AABCB1ADRB2CYP2D6ADRB1
SCHEMBL14364260 0.74 MCHR1 (0.45) ADRB2ADRB1CD274KDM4E
SCHEMBL16727482 0.73 ABCB1 (0.70) ABCB1ADRB2ADRB1
SCHEMBL8225836 0.73 HTR7 (0.44) ABCB1ADRB2ADRB1KDM4E
SCHEMBL258823 0.73 HIF1A (0.75) ABCB1HIF1AADRB2CYP2D6ADRB1
SCHEMBL29997360 0.73 PDCD1 (0.50) ADRB2CD274KDM4E
SCHEMBL15677631 0.72 ADRB2 (0.65) ADRB2CYP2D6ADRB1CYP1A2KDM4E

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 HTR1A 3/4885ABCB1 924/4885HIF1A 1581/4885
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof TBXA2R, HTR2C, NPY1R HTR1A 7/4885ABCB1 872/4885HIF1A 1487/4885

“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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