SCHEMBL4226852

SCHEMBL4226852

CN(C(=O)O)C1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
METAP1 P53582 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
MCHR1 Q99705 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
POLQ O75417 1/20 0.33

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
SCHEMBL4231362 0.87 AKR1C3 (0.38) CNR2TDP1AKR1C3AKR1C2GPBAR1
SCHEMBL4596973 0.84 HTR1A (0.41) ALDH1A1SMN1; SMN2POLB
SCHEMBL4228958 0.84 DRD2 (0.48)
SCHEMBL4596574 0.83 ALDH1A1 (0.40) ALDH1A1HTR2AHTR2CSMN1; SMN2LMNA
SCHEMBL4225937 0.83 HTR7 (0.43) ALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL4595391 0.82 HTR1A (0.41) GPBAR1ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL4220355 0.81 HTR1A (0.48) AKR1C3AKR1C2ALDH1A1POLBKMT2A
SCHEMBL4232145 0.80 PARP1 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL4230022 0.80 SMN1; SMN2 (0.35) SMN1; SMN2LMNAKMT2A
SCHEMBL4596754 0.80 HTR7 (0.43) TDP1ALDH1A1HPGD

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 CNR2 27/4885TDP1 1482/4885AKR1C3 546/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A CNR2 27/4885TDP1 1482/4885AKR1C3 546/4885

“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.