SCHEMBL4998271

SCHEMBL4998271

NCC1Cc2cccc(C(F)(F)F)c2O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 2/20 0.50
PRKAG1 P54619 2/20 0.50
PRKAA2 P54646 2/20 0.50
PRKAA1 Q13131 2/20 0.50
PRKAG3 Q9UGI9 2/20 0.50
PRKAG2 Q9UGJ0 2/20 0.50
PRKAB1 Q9Y478 2/20 0.50
HTR2C P28335 4/20 0.41
HTR2B P41595 2/20 0.41
AADAT Q8N5Z0 1/20 0.40
AQP1 P29972 1/20 0.39
PNMT P11086 1/20 0.36
TDP1 Q9NUW8 1/20 0.33
GPR52 Q9Y2T5 1/20 0.32
HTR2A P28223 3/20 0.32
HRH1 P35367 2/20 0.32
DRD2 P14416 1/20 0.32
PARP1 P09874 3/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 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
SCHEMBL5791592 0.87 PRKAB2 (0.54) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4225706 0.87 PRKAB2 (0.54) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7390730 0.86 HTR2C (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4220221 0.84 PRKAB2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL15758438 0.80 PRKAB2 (0.62) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5792495 0.79 AQP1 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4220264 0.79 PRKAB2 (0.60) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4972949 0.78 PRKAB2 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8210630 0.76 PRKAB2 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8213749 0.76 PRKAB2 (0.41) 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 2 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 disclosed
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-06-30 US 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 (1 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-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A PRKAB2 2598/4885PRKAG1 2441/4885PRKAA2 1756/4885

“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.