SCHEMBL3207761

SCHEMBL3207761

COc1ccc(F)cc1-c1c(Cl)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.43
HSP90AB1 P08238 1/20 0.43
NR3C1 P04150 6/20 0.43
NR3C2 P08235 5/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AMY1A P0DUB6 1/20 0.42
PTGS1 P23219 1/20 0.41
NFE2L2 Q16236 1/20 0.41
GRIA1 P42261 1/20 0.41
CACNG8 Q8WXS5 1/20 0.41
ERN1 O75460 1/20 0.41
PGR P06401 4/20 0.41
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
CTSA P10619 1/20 0.41
AR P10275 3/20 0.40
STK10 O94804 1/20 0.40
SLK Q9H2G2 1/20 0.40

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
SCHEMBL5186081 0.92 ORAI1 (0.43) HSP90AA1HSP90AB1NR3C1NR3C2NPC1
SCHEMBL23740426 0.83 HSP90AA1 (0.44) HSP90AA1HSP90AB1NR3C1NR3C2NPC1
SCHEMBL27695445 0.83 AMY1A (0.46) NR3C1NR3C2NPC1RAB9ASMN1; SMN2
SCHEMBL3347567 0.83 HTR7 (0.47) NR3C1NR3C2NPC1RAB9ASMN1; SMN2
SCHEMBL30930963 0.81 CREBBP (0.42) NR3C1NR3C2NPC1RAB9ASMN1; SMN2
SCHEMBL21638244 0.80 MAPK14 (0.44) HSP90AA1HSP90AB1NR3C1NR3C2AMY1A
SCHEMBL5206241 0.80 NR3C1 (0.39) NR3C1NR3C2AMY1AERN1PGR
SCHEMBL4228781 0.80 APP (0.53) HSP90AA1HSP90AB1AR
SCHEMBL8940603 0.79 ERN1 (0.51) NR3C1NR3C2NPC1RAB9ASMN1; SMN2
SCHEMBL15455603 0.78 ERN1 (0.45) NR3C1NR3C2NPC1RAB9ASMN1; SMN2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160411-A1 BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF WYETH (US) 2010-06-24 US disclosed
US-20100160411-A1 BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF WYETH (US) 2010-06-24 US disclosed
US-20100160411-A1 BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF WYETH (US) 2010-06-24 US disclosed
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH 2010-02-11 US disclosed
US-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same WYETH (US) 2009-03-26 US disclosed
US-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same WYETH (US) 2009-03-26 US disclosed
US-7435837-B2 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2008-10-14 US disclosed
US-7435837-B2 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2008-10-14 US disclosed
US-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2008-07-31 US disclosed
WO-2008052078-A2 BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF WYETH (US) 2008-05-02 WO disclosed
WO-2007123942-A2 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF WYETH (US) 2007-11-01 WO disclosed
EP-1802597-A1 ASYMMETRIC SYNTHESIS OF SUBSTITUTED DIHYDROBENZOFURANS Wyeth a Corporation of the State of Delaware (US) 2007-07-04 EP disclosed
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 WO disclosed
US-20060258714-A1 Chromane and chromene derivatives and uses thereof WYETH (US) 2006-11-16 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
US-20060111438-A1 Asymmetric synthesis of substituted dihydrobenzofurans WYETH (US) 2006-05-25 US disclosed
WO-2006047228-A1 ASYMMETRIC SYNTHESIS OF SUBSTITUTED DIHYDROBENZOFURANS WYETH (US) 2006-05-04 WO 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 (7 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-20100160411-A1 BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF HTR2C, HTR3B, HTR1A HSP90AA1 2957/4885HSP90AB1 3062/4885NR3C1 293/4885
US-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF HTR1A, HTR2C, CHRM1 HSP90AA1 4044/4885HSP90AB1 4268/4885NR3C1 80/4885
US-20060111438-A1 Asymmetric synthesis of substituted dihydrobenzofurans AR, DHFR, COASY HSP90AA1 2784/4885HSP90AB1 2314/4885NR3C1 1147/4885
US-20060258714-A1 Chromane and chromene derivatives and uses thereof HTR1A, HTR2C, CHRM1 HSP90AA1 4044/4885HSP90AB1 4268/4885NR3C1 80/4885
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A HSP90AA1 1598/4885HSP90AB1 1540/4885NR3C1 153/4885
US-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same HTR2C, HTR1A, HTR3A HSP90AA1 2779/4885HSP90AB1 2778/4885NR3C1 922/4885
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF HTR2C, HTR5A, NPY1R HSP90AA1 3444/4885HSP90AB1 3549/4885NR3C1 235/4885

“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.