SCHEMBL4345757

SCHEMBL4345757

CC(C)(C)N(C(=O)O)C(CCO)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
ATM Q13315 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RIPK1 Q13546 3/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ALOX5 P09917 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL19305426 0.88 RIPK1 (0.42) TRPA1ATMCHRNB2CHRNB4CHRNA3
SCHEMBL531655 0.88 RIPK1 (0.42) TRPA1ATMCHRNB2CHRNB4CHRNA3
SCHEMBL19305428 0.88 RIPK1 (0.42) TRPA1ATMCHRNB2CHRNB4CHRNA3
SCHEMBL17603668 0.86 BRD4 (0.40) MEN1KMT2ALMNA
SCHEMBL17603901 0.86 BRD4 (0.40) MEN1KMT2ALMNA
SCHEMBL3338164 0.86 TDP1 (0.38) KDM4ERIPK1HTTALDH1A1
SCHEMBL16504760 0.85 MEN1 (0.41) RIPK1MEN1KMT2AALDH1A1TRPM8
SCHEMBL17603852 0.85 ACP3 (0.39) MEN1KMT2AHTTALDH1A1
SCHEMBL14909537 0.83 SLC6A2 (0.42) ATMCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9716115 0.83 SLC6A2 (0.42) ATMCHRNB2CHRNB4CHRNA3CHRNA4

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-8080570-B2 α2B and α2C agonists ALLERGAN, INC. (US) 2011-12-20 US disclosed
US-20090275627-A1 ALPHA2B AND ALPHA2C AGONISTS ALLERGAN, INC. (US) 2009-11-05 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-20090275627-A1 ALPHA2B AND ALPHA2C AGONISTS ADRA2B, ADRA2C, ADRB2 TRPA1 746/4885ATM 4092/4885CHRNB2 10/4885

“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.