SCHEMBL4223592

SCHEMBL4223592

NCC1Cc2c(cccc2-c2ccccc2C(F)(F)F)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.40
HTR2B P41595 1/20 0.40
GPR52 Q9Y2T5 1/20 0.36
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
METAP1 P53582 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
HTR2A P28223 1/20 0.34
TP53 P04637 1/20 0.34
NOTUM Q6P988 1/20 0.33
CYP3A4 P08684 4/20 0.32
CYP2D6 P10635 4/20 0.32
CYP2C19 P33261 4/20 0.32
CYP1A2 P05177 3/20 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
SCHEMBL4220081 0.80 ABCB1 (0.38) HTR2CHTR2BPRKAB2PRKAG1PRKAA2
SCHEMBL4225917 0.79 GPR52 (0.42) GPR52TP53ATMTSHRALDH1A1
SCHEMBL4228680 0.79 PRKAB2 (0.39) GPR52PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5791592 0.78 PRKAB2 (0.54) HTR2CHTR2BGPR52PRKAB2PRKAG1
SCHEMBL4225706 0.78 PRKAB2 (0.54) HTR2CHTR2BGPR52PRKAB2PRKAG1
SCHEMBL4223650 0.77 PRKAB2 (0.37) HTR2CHTR2BPRKAB2PRKAG1PRKAA2
SCHEMBL4963564 0.76 HTR2C (0.38) HTR2CHTR2BPRKAB2PRKAG1PRKAA2
SCHEMBL6104848 0.76 HTR2C (0.38) HTR2CHTR2BPRKAB2PRKAG1PRKAA2
SCHEMBL4225092 0.76 OXTR (0.48) GPR52ATMALDH1A1HTT
SCHEMBL4222323 0.74 LMNA (0.37) CYP3A4CYP2D6CYP2C19TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007509174-A 2007-04-12 JP claimed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP claimed
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-06-30 US claimed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO 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 HTR2C 1/4885HTR2B 6/4885GPR52 67/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A HTR2C 1/4885HTR2B 6/4885GPR52 67/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A HTR2C 6/4885HTR2B 11/4885GPR52 75/4885

“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.