SCHEMBL4228958

SCHEMBL4228958

CN(C(=O)O)C1Cc2cccc(-c3ccc(C(F)(F)F)cc3)c2O1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.48
GPR52 Q9Y2T5 1/20 0.40
APOB P04114 3/20 0.39
MTTP P55157 3/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
BACE1 P56817 1/20 0.38
HTR7 P34969 3/20 0.37
HTR1A P08908 2/20 0.37
THRB P10828 1/20 0.36
KLRK1 P26718 3/20 0.36
MICA Q29983 3/20 0.36
RAET1L Q5VY80 3/20 0.36
APP P05067 1/20 0.36
SCN9A Q15858 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
SCHEMBL4220355 0.90 HTR1A (0.48) DRD2GPR52HTR7HTR1ATHRB
SCHEMBL4225937 0.88 HTR7 (0.43) DRD2HTR7HTR1A
SCHEMBL4597609 0.87 HTR7 (0.43) DRD2HTR7HTR1A
SCHEMBL4596752 0.85 RAB9A (0.38) DRD2MAOAMAOBHTR7HTR1A
SCHEMBL4595383 0.84 HTR7 (0.43) DRD2HTR7HTR1A
SCHEMBL4226852 0.84 CNR2 (0.38)
SCHEMBL4596359 0.82 HTR7 (0.46) DRD2GPR52HTR7HTR1A
SCHEMBL4596677 0.82 DRD2 (0.47) DRD2
SCHEMBL4596419 0.80 CAMKK2 (0.39) DRD2GPR52HTR7HTR1A
SCHEMBL4596973 0.80 HTR1A (0.41) HTR7HTR1A

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 DRD2 30/4885GPR52 67/4885APOB 806/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A DRD2 30/4885GPR52 67/4885APOB 806/4885

“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.