SCHEMBL5328294

SCHEMBL5328294

CNCC(CCO)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.42
SLC6A2 P23975 9/20 0.42
ADRB1 P08588 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRB3 P13945 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTR1A P08908 1/20 0.38
THPO P40225 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NMUR2 Q9GZQ4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2C9 P11712 1/20 0.38
HIF1A Q16665 1/20 0.38
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37

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
SCHEMBL5324521 1.00 SLC6A4 (0.42) SLC6A4SLC6A2ADRB1ADRA2AADRB3
SCHEMBL5330393 0.84 SLC6A2 (0.40) SLC6A4SLC6A2ADRB1ADRA2AADRB3
SCHEMBL28778319 0.82 GABBR2 (0.44) GABBR2GABBR1AOC3
SCHEMBL7666332 0.82 SLC6A4 (0.47) SLC6A4SLC6A2TAAR1ALDH1A1HTR1A
SCHEMBL5013017 0.82 SLC6A4 (0.47) SLC6A4SLC6A2ADRB1ADRA2AADRB3
SCHEMBL5326905 0.81 ADRA2A (0.46) SLC6A4SLC6A2ADRB1ADRA2AADRB3
SCHEMBL1959897 0.79 ESR1 (0.40) ADRA2AADRA2BADRA2CTDP1GABBR2
SCHEMBL1834790 0.79 ESR1 (0.40) ADRA2AADRA2BADRA2CTDP1GABBR2
SCHEMBL1835662 0.79 ESR1 (0.40) ADRA2AADRA2BADRA2CTDP1GABBR2
SCHEMBL5425514 0.79 GRIA4 (0.44) ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007136323-A1 A NOVEL PROCESS SUITABLE FOR LARGE-SCALE PRODUCTION OF PHENYL PROPAN DERIVATIVES OF FORMULA I ALBIREO AB (SE) 2007-11-29 WO claimed
US-20070270487-A1 Novel process and intermediates 085 ASTRAZENECA AB (SE) 2007-11-22 US claimed
WO-2007136323-A1 A NOVEL PROCESS SUITABLE FOR LARGE-SCALE PRODUCTION OF PHENYL PROPAN DERIVATIVES OF FORMULA I ALBIREO AB (SE) 2007-11-29 WO disclosed
WO-2007136323-A1 A NOVEL PROCESS SUITABLE FOR LARGE-SCALE PRODUCTION OF PHENYL PROPAN DERIVATIVES OF FORMULA I ALBIREO AB (SE) 2007-11-29 WO disclosed
US-20070270487-A1 Novel process and intermediates 085 ASTRAZENECA AB (SE) 2007-11-22 US disclosed
US-20070270487-A1 Novel process and intermediates 085 ASTRAZENECA AB (SE) 2007-11-22 US disclosed
US-20070270487-A1 Novel process and intermediates 085 ASTRAZENECA AB (SE) 2007-11-22 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-20070270487-A1 Novel process and intermediates 085 CYP3A5, AGPAT5, CYP4F8 SLC6A4 2682/4885SLC6A2 3820/4885ADRB1 1292/4885

“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.