SCHEMBL8520402

SCHEMBL8520402

CNC(=O)C1CN(C)CC1NC(=O)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 1/20 0.45
▸ EPHX2 P34913 1/20 0.43
▸ SIGMAR1 Q99720 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL13014828 0.86 POLB (0.45) ADAM17EPHX2SIGMAR1MAPTPOLB
SCHEMBL5993629 0.78 EPHX2 (0.52) ADAM17EPHX2SIGMAR1MAPTMEN1
SCHEMBL21514108 0.77 EPHX2 (0.61) EPHX2SIGMAR1MAPTPOLBMEN1
SCHEMBL60236 0.69 MEN1 (0.65) EPHX2MAPTPOLBRAB9AMEN1
SCHEMBL13847101 0.69 SIGMAR1 (0.72) EPHX2SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL6208128 0.68 MEN1 (0.63) EPHX2MAPTPOLBRAB9AMEN1
Water SCHEMBL27340800 0.68 MEN1 (0.63) EPHX2MAPTPOLBRAB9AMEN1
SCHEMBL11337600 0.68 MEN1 (0.63) EPHX2MAPTPOLBRAB9AMEN1
SCHEMBL10211615 0.68 EPHX2 (0.64) EPHX2SIGMAR1MEN1KMT2AALDH1A1
SCHEMBL22567784 0.67 FAAH (0.47) POLBALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-2368890-B9 Hepatitis C virus inhibitors ABBVIE BAHAMAS LTD (BS) 2013-10-30 — — 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
US-20120172290-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-07-05 — — US 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
US-20120115918-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-05-10 — — US disclosed
EP-2368890-A1 Hepatitis C virus inhibitors Abbott Laboratories (US) 2011-09-28 — — EP disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 — — US 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 (7 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-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ADAM17 3432/4885EPHX2 3893/4885SIGMAR1 1581/4885
US-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ADAM17 3432/4885EPHX2 3893/4885SIGMAR1 1581/4885
US-20120115918-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ADAM17 3432/4885EPHX2 3893/4885SIGMAR1 1581/4885
US-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ADAM17 3432/4885EPHX2 3893/4885SIGMAR1 1581/4885
US-20140155382-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ADAM17 3432/4885EPHX2 3893/4885SIGMAR1 1581/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ADAM17 3432/4885EPHX2 3893/4885SIGMAR1 1581/4885
US-20120172290-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ADAM17 3432/4885EPHX2 3893/4885SIGMAR1 1581/4885

“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.

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