SCHEMBL1708012

SCHEMBL1708012

[CH2]c1ccc2c(c1)CN(CC=C)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
SIGMAR1 Q99720 5/20 0.38
TMEM97 Q5BJF2 4/20 0.38
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
PLAU P00749 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
DRD1 P21728 2/20 0.32
OPRM1 P35372 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MTOR P42345 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
THPO P40225 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL4277150 0.82 ADRA1D (0.61) ADRA1DADRA1AADRA1BSIGMAR1TMEM97
SCHEMBL1708015 0.80 ADRA1D (0.51) ADRA1DADRA1AADRA1BSIGMAR1TMEM97
SCHEMBL2321445 0.78 ADRA1D (0.81) ADRA1DADRA1AADRA1BSIGMAR1ADRA2A
Azapetine SCHEMBL456796 0.69 ADRA1D (1.00) ADRA1DADRA1AADRA1BSIGMAR1ADRA2A
Azapetine SCHEMBL29763084 0.69 ADRA1D (1.00) ADRA1DADRA1AADRA1BSIGMAR1ADRA2A
SCHEMBL20909775 0.68 PLAU (0.45) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL6961088 0.68 PLAU (0.47) ADRA1DADRA1AADRA1BSIGMAR1TMEM97
SCHEMBL20891206 0.68 ADRA1D (0.42) ADRA1DADRA1AADRA1BSIGMAR1TMEM97
SCHEMBL10673802 0.68 DRD1 (0.53) ADRA2AADRA2BADRA2CPLAUDRD1
Azapetine SCHEMBL6763929 0.68 ADRA1D (0.96) ADRA1DADRA1AADRA1BSIGMAR1ADRA2A

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
US-8283357-B2 Cycloalkylcarbamate benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US claimed
EP-2440517-A2 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-04-18 EP claimed
WO-2010144378-A2 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-12-16 WO claimed
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US claimed
EP-2440517-B1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2014-03-26 EP disclosed
US-8283357-B2 Cycloalkylcarbamate benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US disclosed
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 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-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC3 ADRA1D 3976/4885ADRA1A 3236/4885ADRA1B 2563/4885

“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.