SCHEMBL4222005

SCHEMBL4222005

C=CCOc1ccc(Cl)cc1C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.61
PTGDR Q13258 6/20 0.61
PTGER2 P43116 1/20 0.61
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HTR2A P28223 3/20 0.40
HTR2C P28335 3/20 0.40
HTR2B P41595 1/20 0.39

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
SCHEMBL9255529 0.77 PTGDR2 (0.55) PTGDR2TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL11479776 0.77 PTGDR2 (0.68) PTGDR2PTGDRPTGER2SLC6A2SLC6A4
SCHEMBL4875122 0.76 PTGDR2 (1.00) PTGDR2PTGDRPTGER2
SCHEMBL4888054 0.76 PTGDR2 (1.00) PTGDR2PTGDRPTGER2
SCHEMBL20052525 0.75 HTR2C (0.41) PTGDR2PTGDRSLC6A4HTR2AHTR2C
SCHEMBL14640344 0.75 PTGDR2 (0.62) PTGDR2PTGDRPTGER2GAATSHR
SCHEMBL4879219 0.74 PTGDR2 (1.00) PTGDR2PTGDRPTGER2
SCHEMBL17962695 0.74 HTR2C (0.72) SLC6A4HTR2AHTR2CHTR2B
SCHEMBL28597227 0.74 HTR2C (0.51) GAATSHRHTR2AHTR2CHTR2B
SCHEMBL9545504 0.73 TSHR (0.61) GAATSHR

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 PTGDR2 324/4885PTGDR 273/4885PTGER2 449/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A PTGDR2 324/4885PTGDR 273/4885PTGER2 449/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A PTGDR2 218/4885PTGDR 167/4885PTGER2 334/4885

“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.