SCHEMBL8535379

SCHEMBL8535379

CCN(C(C)=O)C(C(C)=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.44
HRH1 P35367 2/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
GLA P06280 2/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
POLB P06746 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
MAPT P10636 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL27855089 0.89 NR1H2 (0.47) GLALMNASMN1; SMN2CYP1A2CYP2D6
SCHEMBL628344 0.89 NR1H2 (0.47) GLALMNASMN1; SMN2CYP1A2CYP2D6
SCHEMBL12292188 0.86 ALDH1A1 (0.43) GLALMNASMN1; SMN2CYP1A2CYP2D6
SCHEMBL13389036 0.85 TDP1 (0.43) HTR2AHRH1MTNR1AMTNR1BTDP1
SCHEMBL890237 0.85 TDP1 (0.43) HTR2AHRH1MTNR1AMTNR1BTDP1
SCHEMBL10298817 0.84 PGR (0.40) HTR2AHRH1LMNASMN1; SMN2CYP1A2
SCHEMBL14816808 0.83 PGR (0.49) HTR2AHRH1MTNR1AMTNR1BGLA
SCHEMBL890238 0.83 PGR (0.49) HTR2AHRH1MTNR1AMTNR1BGLA
SCHEMBL18931320 0.83 KMT2A (0.43) MTNR1AMTNR1BGLAHPGDRECQL
SCHEMBL2756116 0.82 HPGD (0.40) HTR2AHRH1HPGDLMNASMN1; SMN2

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
EP-2678334-B1 ANTI-VIRAL COMPOUNDS ABBVIE BAHAMAS LTD (BS) 2017-03-22 EP disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 US disclosed
US-9394279-B2 Anti-viral compounds ABBVIE INC. (US) 2016-07-19 US disclosed
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
EP-2628481-B1 Trisubstituted heterocycles as replication inhibitors of hepatitis C virus HCV ABBVIE BAHAMAS LTD (BS) 2016-02-24 EP disclosed
EP-2692346-B1 An antiviral 1-phenyl-2,5-dibenzimidazol-5-yl-pyrrolidine derivative ABBVIE BAHAMAS LTD (BS) 2015-12-02 EP disclosed
US-20150218194-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-08-06 US disclosed
US-9006387-B2 Anti-viral compounds ABBVIE INC. (US) 2015-04-14 US disclosed
EP-2853531-A2 Antiviral compounds AbbVie Bahamas Ltd. (BS) 2015-04-01 EP disclosed
EP-2628481-A1 Trisubstituted heterocycles as replication inhibitors of hepatitis C virus HCV AbbVie Bahamas Ltd. (BS) 2013-08-21 EP disclosed
EP-2368890-B1 Hepatitis C virus inhibitors ABBVIE BAHAMAS LTD (BS) 2013-04-17 EP disclosed
WO-2012116257-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2012-08-30 WO disclosed
WO-2012083170-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-06-21 WO disclosed
WO-2012083164-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-06-21 WO disclosed
EP-2455376-A1 Heterocyclic compounds as inhibitors of hepatitis C virus (HCV) Abbott Laboratories (US) 2012-05-23 EP disclosed
WO-2012051361-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-04-19 WO disclosed
WO-2010144646-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-12-16 WO disclosed
WO-2010120935-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-10-21 WO disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 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 (3 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-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HTR2A 4700/4885HRH1 3557/4885MTNR1A 4328/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HTR2A 4700/4885HRH1 3557/4885MTNR1A 4328/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HTR2A 4700/4885HRH1 3557/4885MTNR1A 4328/4885

“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.