SCHEMBL3268313

SCHEMBL3268313

COC(=O)N[C@H](C(C)=O)C1CCOC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.32
MAPK1 P28482 1/20 0.30
ACACB O00763 2/20 0.30

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
SCHEMBL5989632 1.00 AAK1 (0.32) AAK1MAPK1ACACB
SCHEMBL5988912 0.90 AAK1 (0.38) AAK1MAPK1ACACB
SCHEMBL856094 0.90 AAK1 (0.38) AAK1MAPK1ACACB
SCHEMBL890194 0.90 AAK1 (0.38) AAK1MAPK1ACACB
SCHEMBL19318668 0.89 AAK1 (0.33) AAK1MAPK1
SCHEMBL240248 0.87 PYGL (0.33) AAK1MAPK1
SCHEMBL240247 0.87 PYGL (0.33) AAK1MAPK1
SCHEMBL241410 0.87 PYGL (0.33) AAK1MAPK1
SCHEMBL19318662 0.87 PYGL (0.33) AAK1MAPK1
SCHEMBL15429719 0.84 MAPK1 (0.33) AAK1MAPK1

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-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 US disclosed
US-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
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-20150353529-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2015-12-10 US 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-9156823-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2015-10-13 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-20140155382-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-06-05 US disclosed
US-20140018313-A1 ANTIVIRAL COMPOUNDS Gelead Sciences, Inc. 2014-01-16 US disclosed
WO-2012116257-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2012-08-30 WO disclosed
WO-2012083164-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-06-21 WO disclosed
WO-2012083170-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-06-21 WO disclosed
WO-2012051361-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-04-19 WO disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 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-20140018313-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 AAK1 3098/4885MAPK1 3854/4885ACACB 1800/4885
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC AAK1 1946/4885MAPK1 2374/4885ACACB 248/4885
US-20140155382-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS AAK1 2181/4885MAPK1 2093/4885ACACB 117/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS AAK1 2181/4885MAPK1 2093/4885ACACB 117/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS AAK1 2181/4885MAPK1 2093/4885ACACB 117/4885
US-20150353529-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 AAK1 3098/4885MAPK1 3854/4885ACACB 1800/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS AAK1 2181/4885MAPK1 2093/4885ACACB 117/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS AAK1 2181/4885MAPK1 2093/4885ACACB 117/4885

“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.