SCHEMBL995885

SCHEMBL995885

CCOC(=O)C12CC1/C=C/CCCCCN(Cc1ccc(OC)cc1)C(=O)N1CC(O)CC1C(=O)N2

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRL1 P41146 1/20 0.32
▸ ADRB3 P13945 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ HDAC1 Q13547 1/20 0.31

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
SCHEMBL10156974 1.00 ALDH1A1 (0.36) ALDH1A1L3MBTL1KMT2AMEN1MAPK1
SCHEMBL8239738 1.00 ALDH1A1 (0.36) ALDH1A1L3MBTL1KMT2AMEN1MAPK1
SCHEMBL995888 1.00 ALDH1A1 (0.36) ALDH1A1L3MBTL1KMT2AMEN1MAPK1
SCHEMBL19215370 1.00 ALDH1A1 (0.36) ALDH1A1L3MBTL1KMT2AMEN1MAPK1
SCHEMBL16628773 0.91 ADRB3 (0.36) ALDH1A1ALOX15MMP1MMP13CTSB
SCHEMBL16628772 0.91 ADRB3 (0.36) ALDH1A1ALOX15MMP1MMP13CTSB
SCHEMBL3523171 0.91 MMP1 (0.34) ALDH1A1L3MBTL1ALOX15MMP1MMP13
SCHEMBL995273 0.89 ALDH1A1 (0.34) ALDH1A1L3MBTL1KMT2AMEN1MAPK1
SCHEMBL995274 0.89 ALDH1A1 (0.34) ALDH1A1L3MBTL1KMT2AMEN1MAPK1
SCHEMBL8249055 0.89 ALDH1A1 (0.34) ALDH1A1L3MBTL1KMT2AMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856265-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2018-01-02 — — US disclosed
US-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-10 — — US disclosed
US-9623022-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2017-04-18 — — US disclosed
US-20160235737-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Janssen Sciences Ireland Unlimited Company (IE) 2016-08-18 — — US disclosed
US-9353103-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2016-05-31 — — US disclosed
EP-2937339-A1 Macrocylic inhibitors of hepatitis c virus Janssen Sciences Ireland UC (IE) 2015-10-28 — — EP disclosed
EP-2322516-B1 Intermediates for the preparation of Macrocyclic inhibitors of hepatitis c virus JANSSEN SCIENCES IRELAND UC (IE) 2015-09-23 — — EP disclosed
US-20150218153-A1 Macrocyclic Inhibitors Of Hepatitis C Virus JANSSEN R & D IRELAND (IE) 2015-08-06 — — US disclosed
US-9040562-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN R&D IRELAND (IE) 2015-05-26 — — US disclosed
US-9023808-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2015-05-05 — — US disclosed
US-20100041728-A1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES MEDIVIR AB 2010-02-18 — — US disclosed
US-7659245-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD (IE) 2010-02-09 — — US disclosed
EP-1912981-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2010-01-20 — — EP disclosed
EP-2118091-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS Tibotec Pharmaceuticals (IE) 2009-11-18 — — EP disclosed
EP-2111396-A1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES Tibotec Pharmaceuticals Ltd. (IE) 2009-10-28 — — EP disclosed
US-20090247512-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2009-10-01 — — US disclosed
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-05-07 — — US disclosed
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-04-23 — — US disclosed
WO-2008096001-A1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-14 — — WO disclosed
WO-2008095999-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-14 — — WO 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-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS ALDH1A1 2683/4885L3MBTL1 1862/4885KMT2A 3645/4885
US-20100041728-A1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES COPB1, HAVCR2, NOD1 ALDH1A1 922/4885L3MBTL1 3419/4885KMT2A 4465/4885
US-20160235737-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS ALDH1A1 2683/4885L3MBTL1 1862/4885KMT2A 3645/4885
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus CBR1, HAVCR2, AOC1 ALDH1A1 380/4885L3MBTL1 417/4885KMT2A 4268/4885
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus HCCS, CBR1, CYP2B6 ALDH1A1 2716/4885L3MBTL1 615/4885KMT2A 3997/4885
US-20150218153-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, CYP3A7, HCCS ALDH1A1 2683/4885L3MBTL1 1862/4885KMT2A 3645/4885
US-20090247512-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP2B6, HCCS ALDH1A1 3090/4885L3MBTL1 2114/4885KMT2A 4295/4885

“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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