SCHEMBL4236359

SCHEMBL4236359

Cc1ccccc1-c1cc(Cl)cc2c1OC(N(C)C(=O)O)C2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 14/20 0.41
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
MAP2 P11137 1/20 0.34
USP7 Q93009 1/20 0.34
KCNH2 Q12809 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
SCHEMBL4220850 0.87 PTGS1 (0.41) ALDH1A1USP7
SCHEMBL4597135 0.86 GPBAR1 (0.39) GPBAR1ALDH1A1MAPK1
SCHEMBL4596574 0.84 ALDH1A1 (0.40) HTR2AHTR2CALDH1A1MAPK1
SCHEMBL6047985 0.82 ALDH1A1 (0.34) GPBAR1ALDH1A1MAPK1
SCHEMBL4596236 0.80 MYC (0.39) ALDH1A1MAPK1
SCHEMBL4236357 0.80 EZH2 (0.44) GPBAR1HTR2AHTR2CALDH1A1MAPK1
SCHEMBL4596667 0.79 AQP1 (0.43) GPBAR1ALDH1A1MAPK1
SCHEMBL4234854 0.78 USP7 (0.36) USP7
SCHEMBL4231349 0.78 OXTR (0.38) GPBAR1HTR2AHTR2CMAPK1
SCHEMBL6047972 0.76 AQP1 (0.42) ALDH1A1MAPK1

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 6 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
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 GPBAR1 103/4885HTR2A 11/4885HTR2C 1/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A GPBAR1 103/4885HTR2A 11/4885HTR2C 1/4885

“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.