SCHEMBL4226848

SCHEMBL4226848

O=C(O)NCC1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
HTT P42858 3/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
POLB P06746 3/20 0.37
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.35

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
SCHEMBL4960032 0.90 MTNR1A (0.42) GPR52ALDH1A1HPGDHTTMAPT
SCHEMBL4596110 0.89 GPR52 (0.39) GPR52ALDH1A1HPGDHTTMAPT
SCHEMBL4231359 0.87 AQP1 (0.45) GPR52ALDH1A1HPGDHTTMAPT
SCHEMBL4595071 0.85 PRKAB2 (0.45) GPR52ALDH1A1HPGDMAPTKDM4E
SCHEMBL4226726 0.84 ALDH1A1 (0.43) GPR52ALDH1A1HPGDMAPTLMNA
SCHEMBL4228954 0.84 GPR52 (0.52) GPR52HTTPRKAB2PRKAG1PRKAA2
SCHEMBL4225933 0.83 GPR52 (0.46) GPR52ALDH1A1HPGDNPSR1LMNA
SCHEMBL4220360 0.82 AQP1 (0.43) GPR52ALDH1A1HPGDMAPTNPSR1
SCHEMBL4225917 0.82 GPR52 (0.42) GPR52ALDH1A1HPGDHTTMAPT
SCHEMBL4220352 0.81 GPR52 (0.59) GPR52ALDH1A1PRKAB2PRKAG1PRKAA2

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
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
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 WO 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-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 (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-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same HTR2C, HTR1A, HTR3A GPR52 67/4885ALDH1A1 190/4885HPGD 1445/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A GPR52 67/4885ALDH1A1 190/4885HPGD 1445/4885

“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.