SCHEMBL5680449

SCHEMBL5680449

CCC(O)NC1CCCc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.53
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADRB3 P13945 1/20 0.50
CYP2C19 P33261 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
HPGD P15428 1/20 0.47
EPHX1 P07099 1/20 0.47

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
SCHEMBL13164295 0.81 PDPK1 (0.53) HTTALDH1A1KMT2AMEN1TSHR
SCHEMBL10159937 0.81 PDPK1 (0.53) HTTALDH1A1KMT2AMEN1TSHR
SCHEMBL12130659 0.81 PDPK1 (0.53) HTTALDH1A1KMT2AMEN1TSHR
SCHEMBL5198356 0.81 ALDH1A1 (0.61) HTTALDH1A1KMT2AMEN1TSHR
SCHEMBL5715164 0.80 ADRB2 (0.66) HTTALDH1A1KMT2AMEN1TSHR
SCHEMBL29757856 0.78 HTT (0.54) HTTALDH1A1KMT2AMEN1CYP1A2
SCHEMBL5675729 0.77 PDPK1 (0.53) HTTALDH1A1KMT2AMEN1TSHR
SCHEMBL1736569 0.77 ALDH1A1 (0.51) HTTALDH1A1KMT2AMEN1TSHR
SCHEMBL1736859 0.77 HTT (0.49) HTTALDH1A1KMT2AMEN1TSHR
SCHEMBL1327514 0.76 HTT (0.56) HTTALDH1A1KMT2AMEN1TSHR

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-7030160-B2 Propanolaminotetralines, preparation thereof and compositions containing same SANOFI-AVENTIS (FR) 2006-04-18 US disclosed
US-20040034070-A1 Propanolaminotetralines, preparation thereof and compositions containing same SANOFI-AVENTIS (FR) 2004-02-19 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-20040034070-A1 Propanolaminotetralines, preparation thereof and compositions containing same ADRB3, ADRB1, ADRB2 HTT 594/4885ALDH1A1 1591/4885KMT2A 2283/4885

“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.