SCHEMBL8240441

SCHEMBL8240441

CC(=O)C(C(C)C)N1CCCC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA3 P07451 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA13 Q8N1Q1 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
PIK3CD O00329 1/20 0.39
BRD4 O60885 1/20 0.38

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
SCHEMBL15113459 0.95 LMNA (0.44) LMNACA12CA1CA2CA3
SCHEMBL628286 0.85 LMNA (0.49) LMNACA12CA1CA2CA3
SCHEMBL3725271 0.85 LMNA (0.49) LMNACA12CA1CA2CA3
SCHEMBL10298825 0.84 LMNA (0.47) LMNACA12CA1CA2CA3
SCHEMBL3713795 0.84 LMNA (0.60) LMNACA12CA1CA2CA3
SCHEMBL26714791 0.83 LMNA (0.55) LMNACA12CA1CA2CA3
SCHEMBL13788522 0.81 LMNA (0.51) LMNACA12CA1CA2CA3
SCHEMBL15106072 0.80 LMNA (0.44) LMNACA12CA1CA2CA3
SCHEMBL8331968 0.80 LMNA (0.44) LMNACA12CA1CA2CA3
SCHEMBL2756141 0.79 LMNA (0.42) LMNACA12CA1CA2CA3

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 18 patents. 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
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
US-20150087618-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-03-26 US disclosed
US-8937150-B2 Anti-viral compounds ABBVIE INC. (US) 2015-01-20 US disclosed
US-8921514-B2 Anti-viral compounds ABBVIE INC. (US) 2014-12-30 US disclosed
US-20140315792-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES 2014-10-23 US disclosed
US-20140155382-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-06-05 US disclosed
EP-2692346-A1 An antiviral 1-phenyl-2,5-dibenzimidazol-5-yl-pyrrolidine derivative Abbvie Inc. (US) 2014-02-05 EP disclosed
EP-2692726-A1 Anti-viral compounds Abbvie Inc. (US) 2014-02-05 EP disclosed
US-20120172290-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-07-05 US disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 US disclosed
US-7696226-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2010-04-13 US disclosed
US-20050159469-A1 HIV protease inhibiting compounds ABBVIE INC. 2005-07-21 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 (8 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-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS LMNA 3118/4885CA12 4401/4885CA1 4852/4885
US-20140155382-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS LMNA 3118/4885CA12 4401/4885CA1 4852/4885
US-20050159469-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP LMNA 3100/4885CA12 3198/4885CA1 2294/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS LMNA 3118/4885CA12 4401/4885CA1 4852/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS LMNA 3118/4885CA12 4401/4885CA1 4852/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS LMNA 3118/4885CA12 4401/4885CA1 4852/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS LMNA 3118/4885CA12 4401/4885CA1 4852/4885
US-20120172290-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS LMNA 3118/4885CA12 4401/4885CA1 4852/4885

“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.