SCHEMBL4959966

SCHEMBL4959966

CCOc1ccc(-c2cccc3c2O[C@@H](CN)CO3)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
HTR1A P08908 4/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ADRB2 P07550 3/20 0.35
ADRB1 P08588 3/20 0.35
ADRB3 P13945 2/20 0.35
FFAR1 O14842 2/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL4963282 0.88 POLB (0.41) TSHRSMN1; SMN2ADRA1DADRA1AADRA1B
SCHEMBL4963375 0.86 TSHR (0.41) TSHRHTR1ANPC1RAB9ASMN1; SMN2
SCHEMBL8225830 0.84 AQP1 (0.39) TSHRADRB2ADRB1ADRB3FFAR1
SCHEMBL6106691 0.83 CA2 (0.38) RAB9AFFAR1ADRA1DADRA1AADRA1B
SCHEMBL8210618 0.81 PRKAB2 (0.40) NPC1RAB9ACYP11B1CYP11B2KDM4E
SCHEMBL8231974 0.80 SLC6A2 (0.41) HTR1AADRA1DADRA1AADRA1BCA2
SCHEMBL4961840 0.80 SLC6A2 (0.41) HTR1AADRA1DADRA1AADRA1BCA2
SCHEMBL3220054 0.80 PRKAB2 (0.33) HTR1ASMN1; SMN2KDM4EUSP2ALDH1A1
SCHEMBL3197092 0.80 PRKAB2 (0.33) HTR1ASMN1; SMN2KDM4EUSP2ALDH1A1
SCHEMBL3218254 0.80 PRKAB2 (0.33) HTR1ASMN1; SMN2KDM4EUSP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871759-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP disclosed
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2007-11-01 US disclosed
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2007-11-01 US 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 (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 TSHR 216/4885HTR1A 3/4885NPC1 3515/4885
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof TBXA2R, HTR2C, NPY1R TSHR 296/4885HTR1A 7/4885NPC1 4005/4885

“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.