SCHEMBL4963490

SCHEMBL4963490

NCC1Oc2cc(F)cc(-c3ccccc3)c2O1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.35
MAOB P27338 3/20 0.34
PTGS1 P23219 2/20 0.34
PTGS2 P35354 1/20 0.34
METAP2 P50579 1/20 0.33
GPR84 Q9NQS5 2/20 0.32
AQP1 P29972 1/20 0.32
DPP4 P27487 1/20 0.32
MAPT P10636 1/20 0.31
CYP19A1 P11511 1/20 0.31
TP53 P04637 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
CSNK2A1 P68400 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL6105855 0.84 AQP1 (0.34) HTR2CMAOBAQP1MAPTCYP19A1
SCHEMBL4960551 0.83 AQP1 (0.43) HTR2CMAOBAQP1DPP4MAPT
SCHEMBL4960558 0.82 AQP1 (0.35) HTR2CAQP1MAPTMAPK1
SCHEMBL4959837 0.80 AQP1 (0.47) HTR2CAQP1
SCHEMBL4962866 0.79 HTR7 (0.38) HTR2CGPR84MAPTMAPK1
SCHEMBL14364282 0.78 AQP1 (0.39) HTR2CAQP1MAPTCYP19A1
SCHEMBL8225917 0.76 PTGS1 (0.39) MAOBPTGS1PTGS2METAP2DPP4
SCHEMBL4961316 0.72 CA2 (0.35) MAOBPTGS1PTGS2MAPTMAPK1
SCHEMBL8225713 0.72 AQP1 (0.40) HTR2CAQP1MAPTCYP19A1
SCHEMBL4224737 0.71 AQP1 (0.62) HTR2CMETAP2AQP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101218223-A Benzodioxane and benzodioxolane derivatives and uses thereof WYETH CORP (US) 2008-07-09 CN disclosed
EP-1871759-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP disclosed
WO-2006116158-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed
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
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 HTR2C 1/4885MAOB 63/4885PTGS1 623/4885

“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.