SCHEMBL1708015

SCHEMBL1708015

C=CCN1Cc2ccc(C)cc2C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38
DPP7 Q9UHL4 1/20 0.38
POLB P06746 1/20 0.38
SIGMAR1 Q99720 3/20 0.37
TMEM97 Q5BJF2 1/20 0.37
KCNH2 Q12809 1/20 0.37
MAPT P10636 1/20 0.35
METAP1 P53582 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NAMPT P43490 2/20 0.33
PLAU P00749 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33

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
SCHEMBL20891206 0.87 ADRA1D (0.42) ADRA1DADRA1AADRA1BPOLBSIGMAR1
SCHEMBL20909775 0.87 PLAU (0.45) ADRA1DADRA1AADRA1BPOLBALDH1A1
SCHEMBL4277150 0.80 ADRA1D (0.61) ADRA1DADRA1AADRA1BSIGMAR1TMEM97
SCHEMBL1708012 0.80 ADRA1D (0.53) ADRA1DADRA1AADRA1BSIGMAR1TMEM97
SCHEMBL13961198 0.77 DPP8 (0.45) DPP8DPP9DPP7KCNH2ALDH1A1
SCHEMBL2321445 0.77 ADRA1D (0.81) ADRA1DADRA1AADRA1BSIGMAR1ALDH1A1
SCHEMBL22993028 0.74 ALDH1A1 (0.44) DPP8DPP9DPP7KCNH2ALDH1A1
SCHEMBL9678398 0.71 DPP8 (0.38) DPP8DPP9DPP7POLBKCNH2
SCHEMBL24692532 0.70 KCNH2 (0.42) DPP8DPP9DPP7SIGMAR1TMEM97
SCHEMBL18664436 0.70 DPP8 (0.47) DPP8DPP9DPP7POLBMAPT

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.