SCHEMBL4036891

SCHEMBL4036891

[CH2]N1CCN(C(=O)C2CCOCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
GPR183 P32249 1/20 0.48
KCNH2 Q12809 1/20 0.48
HPGD P15428 2/20 0.47
RECQL P46063 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 3/20 0.44
HRH3 Q9Y5N1 3/20 0.44
PKM P14618 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
CHRNB3 Q05901 1/20 0.44
CHRNA6 Q15825 1/20 0.44
CNR2 P34972 1/20 0.44
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL2077743 0.86 TSHR (0.60) TSHRALDH1A1SMN1; SMN2HPGDRECQL
SCHEMBL2075901 0.85 ALDH1A1 (0.62) TSHRALDH1A1HPGDHTTCHRNB2
SCHEMBL3595898 0.84 TSHR (0.52) TSHRALDH1A1SMN1; SMN2GPR183KCNH2
SCHEMBL18415359 0.83 HPGD (0.68) TSHRALDH1A1SMN1; SMN2GPR183KCNH2
SCHEMBL4036894 0.82 HTT (0.62) TSHRALDH1A1SMN1; SMN2GPR183KCNH2
SCHEMBL1911828 0.82 HPGD (0.72) TSHRALDH1A1SMN1; SMN2HPGDRECQL
SCHEMBL4135865 0.81 ALDH1A1 (0.78) TSHRALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL13097124 0.80 RECQL (0.49) TSHRALDH1A1SMN1; SMN2GPR183KCNH2
SCHEMBL26537927 0.79 TSHR (0.45) TSHRALDH1A1SMN1; SMN2GPR183KCNH2
SCHEMBL2677465 0.79 TSHR (0.52) TSHRALDH1A1SMN1; SMN2GPR183KCNH2

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-20090048269-A1 CHEMICAL COMPOUNDS-821 ASTRAZENECA AB (SE) 2009-02-19 US disclosed
WO-2009022171-A1 PYRIDINYIIOXY PYRIDINES AS ALK5 INHIBITORS ASTRAZENECA AB (SE) 2009-02-19 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 (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-20090048269-A1 CHEMICAL COMPOUNDS-821 TGFBR1, TGFBR2, SMAD3 TSHR 1147/4885ALDH1A1 163/4885SMN1; SMN2 4060/4885

“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.