SCHEMBL4228696

SCHEMBL4228696

NCC1Cc2cccc(C=Cc3ccccc3)c2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.43
CREBBP Q92793 4/20 0.43
PRKAB2 O43741 2/20 0.43
PRKAG1 P54619 2/20 0.43
PRKAA2 P54646 2/20 0.43
PRKAA1 Q13131 2/20 0.43
PRKAG3 Q9UGI9 2/20 0.43
PRKAG2 Q9UGJ0 2/20 0.43
PRKAB1 Q9Y478 2/20 0.43
NFE2L2 Q16236 3/20 0.36
TRPA1 O75762 2/20 0.36
DHFR P00374 1/20 0.33
AQP1 P29972 1/20 0.33
CYP19A1 P11511 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL4228692 1.00 BRD4 (0.43) BRD4CREBBPPRKAB2PRKAG1PRKAA2
SCHEMBL4220589 0.81 PRKAB2 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4220591 0.81 PRKAB2 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4596693 0.78 CREBBP (0.62) BRD4CREBBPNFE2L2TRPA1MAOA
SCHEMBL4596690 0.78 BRD4 (0.49) BRD4CREBBPNFE2L2TRPA1DHFR
SCHEMBL4220451 0.74 CYP24A1 (0.47) BRD4CREBBP
SCHEMBL4220457 0.74 CYP24A1 (0.47) BRD4CREBBP
SCHEMBL4219233 0.74 PRKAB2 (0.64) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Hydrochloric Acid SCHEMBL5805437 0.72 PRKAB2 (0.62) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL15758438 0.72 PRKAB2 (0.62) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 BRD4 2918/4885CREBBP 3250/4885PRKAB2 2598/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A BRD4 2918/4885CREBBP 3250/4885PRKAB2 2598/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A BRD4 1979/4885CREBBP 2627/4885PRKAB2 2184/4885

“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.