SCHEMBL8220563

SCHEMBL8220563

NCC1Oc2cccc(-c3c(Cl)cccc3Cl)c2O1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
AHR P35869 2/20 0.33
AQP1 P29972 1/20 0.32
DPP4 P27487 1/20 0.32
DAO P14920 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
PNMT P11086 1/20 0.31
P2RY6 Q15077 1/20 0.30

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
SCHEMBL4964730 0.82 AQP1 (0.47) HTR2AHTR2CHTR2BAQP1TAAR1
SCHEMBL4960764 0.82 AQP1 (0.47) HTR2AHTR2CHTR2BAQP1TAAR1
SCHEMBL4959837 0.82 AQP1 (0.47) HTR2AHTR2CHTR2BAQP1TAAR1
SCHEMBL8225498 0.80 AQP1 (0.43) CA2HTR2AHTR2CHTR2BAHR
SCHEMBL6104448 0.79 DPP4 (0.40) HTR2AHTR2CHTR2BAQP1DPP4
SCHEMBL8225826 0.77 CA2 (0.50) CA2HTR2AHTR2CHTR2BAQP1
SCHEMBL4961501 0.77 CA2 (0.50) CA2HTR2AHTR2CHTR2BAQP1
SCHEMBL8220872 0.77 CA2 (0.50) CA2HTR2AHTR2CHTR2BAQP1
SCHEMBL4960551 0.74 AQP1 (0.43) HTR2AHTR2CHTR2BAQP1DPP4
SCHEMBL4964618 0.73 AQP1 (0.37) CA2HTR2AHTR2CHTR2BAHR

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-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 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 (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-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A CA2 4153/4885HTR2A 7/4885HTR2C 1/4885

“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.