SCHEMBL4226261

SCHEMBL4226261

OCC1Cc2c(C(F)(F)F)ccc(Cl)c2O1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CCR2 P41597 1/20 0.33
MAPK1 P28482 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
NOTUM Q6P988 3/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL4227157 0.85 AQP1 (0.40) MEN1POLBKMT2AMAPK1
SCHEMBL17843534 0.85 RXFP1 (0.36) RXFP1KDM4EALDH1A1HPGDGAA
SCHEMBL15765124 0.77 RXFP1 (0.43) RXFP1KDM4EALDH1A1HPGD
SCHEMBL15898893 0.73 TP53 (0.37) RXFP1MEN1POLBKMT2AKDM4E
SCHEMBL4225360 0.72 MAPK1 (0.36) MEN1POLBKMT2AKDM4EALDH1A1
SCHEMBL7621430 0.67 RXFP1 (0.41) RXFP1KDM4EALDH1A1HPGDGAA
SCHEMBL9781206 0.67 CYP3A4 (0.40) MEN1POLBKMT2A
SCHEMBL9817735 0.67 AKR1B1 (0.36) RXFP1KDM4EALDH1A1HPGD
SCHEMBL15758209 0.67 AQP1 (0.39) RXFP1KDM4EALDH1A1HPGD
SCHEMBL9781194 0.66 GRM7 (0.34)

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 8 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-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 (3 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 RXFP1 678/4885MEN1 4338/4885POLB 3802/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A RXFP1 678/4885MEN1 4338/4885POLB 3802/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A RXFP1 193/4885MEN1 3860/4885POLB 3361/4885

“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.