SCHEMBL4236002

SCHEMBL4236002

Cc1ccccc1-c1c(Cl)ccc2c1OC(CN)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.44
PRKAB2 O43741 2/20 0.42
PRKAG1 P54619 2/20 0.42
PRKAA2 P54646 2/20 0.42
PRKAA1 Q13131 2/20 0.42
PRKAG3 Q9UGI9 2/20 0.42
PRKAG2 Q9UGJ0 2/20 0.42
PRKAB1 Q9Y478 2/20 0.42
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
EZH2 Q15910 1/20 0.35
HTR2C P28335 3/20 0.34
HTR2A P28223 3/20 0.33
HTR2B P41595 2/20 0.33
HTR7 P34969 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL4226325 0.90 AQP1 (0.39) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4230148 0.89 AQP1 (0.46) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8203887 0.87 NFKB1 (0.37) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4231158 0.87 AQP1 (0.40) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
Hydrochloric Acid SCHEMBL4620577 0.86 NFKB1 (0.36) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4226320 0.85 AQP1 (0.58) AQP1PTGS1PTGS2EZH2HTR2C
SCHEMBL4220483 0.84 PRKAB2 (0.50) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4596523 0.82 HTR1A (0.43) AQP1PTGS1PTGS2NPC1RAB9A
SCHEMBL4221882 0.82 AQP1 (0.53) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4596522 0.81 PTGS1 (0.37) AQP1PTGS1PTGS2HTR2CHTR2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435837-B2 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2008-10-14 US claimed
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-06-30 US claimed
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 AQP1 1105/4885PRKAB2 2598/4885PRKAG1 2441/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A AQP1 1105/4885PRKAB2 2598/4885PRKAG1 2441/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A AQP1 2290/4885PRKAB2 2184/4885PRKAG1 2809/4885

“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.