SCHEMBL4219986

SCHEMBL4219986

COc1cccc(F)c1-c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 9/20 0.49
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 1/20 0.45
MAP4K1 Q92918 1/20 0.42
NFE2L2 Q16236 1/20 0.42
TOP1 P11387 1/20 0.42
LMNA P02545 1/20 0.42
PDK2 Q15119 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
DUSP3 P51452 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ERN1 O75460 1/20 0.41
LRRK2 Q5S007 1/20 0.41

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
SCHEMBL22760437 0.86 DHPS (0.44) RPS6KA2ALDH1A1MAPTKMT2AHPGD
SCHEMBL16590520 0.85 KMT2A (0.49) ALDH1A1MAPTKMT2AHPGDTOP1
SCHEMBL4220947 0.85 KMT2A (0.49) ALDH1A1MAPTKMT2AHPGDTOP1
SCHEMBL19802451 0.84 HSP90AA1 (0.46) RPS6KA2MAPTKMT2ANFE2L2LMNA
SCHEMBL4621308 0.82 CRHR1 (0.46) RPS6KA2ALDH1A1MAPTKMT2ALMNA
SCHEMBL21638093 0.81 HSP90AA1 (0.42) RPS6KA2ALDH1A1MAPTKMT2AHPGD
SCHEMBL28354066 0.81 MAPT (0.44) ALDH1A1MAPTKMT2AHPGDKDM4E
SCHEMBL4230789 0.81 MAP4K1 (0.52) RPS6KA2ALDH1A1MAPTKMT2AMAP4K1
SCHEMBL17836851 0.80 RPS6KA2 (0.52) RPS6KA2ALDH1A1MAPTKMT2AMAP4K1
SCHEMBL24601997 0.80 AR (0.43) RPS6KA2ALDH1A1MAPTNFE2L2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2008-07-31 US disclosed
CN-101203505-A Chromane and chromene derivatives and uses thereof WYETH CORP (US) 2008-06-18 CN disclosed
US-7365095-B2 Chromane and chromene derivatives and uses thereof WYETH (US) 2008-04-29 US disclosed
EP-1874756-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF Wyeth (US) 2008-01-09 EP disclosed
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP 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
US-20060258714-A1 Chromane and chromene derivatives and uses thereof WYETH (US) 2006-11-16 US disclosed
WO-2006116165-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO 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
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP disclosed
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-11-24 US disclosed
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-06-30 US disclosed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 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 (6 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-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF HTR1A, HTR2C, CHRM1 RPS6KA2 2409/4885ALDH1A1 2512/4885MAPT 2730/4885
US-20060258714-A1 Chromane and chromene derivatives and uses thereof HTR1A, HTR2C, CHRM1 RPS6KA2 2409/4885ALDH1A1 2512/4885MAPT 2730/4885
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A RPS6KA2 2668/4885ALDH1A1 814/4885MAPT 3207/4885
US-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same HTR2C, HTR1A, HTR3A RPS6KA2 2165/4885ALDH1A1 190/4885MAPT 2152/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A RPS6KA2 2165/4885ALDH1A1 190/4885MAPT 2152/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A RPS6KA2 751/4885ALDH1A1 283/4885MAPT 2170/4885

“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.