SCHEMBL4529459

SCHEMBL4529459

N#CC1(c2ccccc2)CCN(C(C(=O)NO)c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 5/20 0.54
ADRA1A P35348 5/20 0.54
ADRA1B P35368 4/20 0.54
OPRM1 P35372 3/20 0.48
OPRL1 P41146 3/20 0.48
OPRK1 P41145 2/20 0.48
OPRD1 P41143 2/20 0.48
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42

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
SCHEMBL2842642 0.82 OPRL1 (0.70) OPRM1OPRL1OPRK1OPRD1
SCHEMBL8112806 0.81 OPRM1 (0.51) OPRM1OPRL1OPRK1OPRD1ALDH1A1
SCHEMBL2846505 0.75 GAA (0.68) ALDH1A1KMT2A
SCHEMBL2636899 0.75 CA12 (0.66) ADRA1DADRA1AADRA1BOPRM1OPRL1
SCHEMBL4533417 0.73 ALDH1A1 (0.66) OPRM1OPRL1OPRK1OPRD1ALDH1A1
SCHEMBL14031243 0.73 CA12 (0.62) ADRA1DADRA1AADRA1BOPRM1OPRD1
SCHEMBL2843906 0.73 ALDH1A1 (0.65) ALDH1A1
SCHEMBL7696075 0.72 CYP2D6 (0.62) OPRM1OPRL1OPRD1CA12CA1
SCHEMBL2841585 0.72 NPY2R (0.51) ALDH1A1KMT2A
SCHEMBL8714542 0.70 CA12 (0.62) ADRA1DADRA1AADRA1BOPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 ADRA1D 2777/4885ADRA1A 2560/4885ADRA1B 2617/4885

“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.