SCHEMBL995887

SCHEMBL995887

CCOC(=O)C1CCC=CCCCCCN(Cc2ccc(OC)cc2)C(=O)[N+]2CC(O)CC2C(=O)N1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.36
▸ GAA P10253 2/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MMP1 P03956 2/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ TSHR P16473 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ FKBP1A P62942 1/20 0.33
▸ ALOX15 P16050 1/20 0.33

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
SCHEMBL3526341 0.89 ALDH1A1 (0.34) ALDH1A1GAAHRH3L3MBTL1POLB
SCHEMBL996970 0.87 MCHR1 (0.33) ALDH1A1GAAHRH3L3MBTL1POLB
SCHEMBL994826 0.83 ALDH1A1 (0.35) ALDH1A1POLBMMP1KDM4ECYP3A4
SCHEMBL2837627 0.82 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3308918 0.82 MCHR1 (0.35) ALDH1A1HRH3L3MBTL1KDM4ECYP3A4
SCHEMBL3314022 0.81 ALDH1A1 (0.32) ALDH1A1GAAHRH3KDM4EMAPK1
SCHEMBL995145 0.81 MMP1 (0.34) ALDH1A1GAAHRH3L3MBTL1MMP1
SCHEMBL2839916 0.79 ALDH1A1 (0.33) ALDH1A1KDM4ECYP3A4TSHRCYP2D6
SCHEMBL2837719 0.78 KCNH2 (0.31) —
SCHEMBL995673 0.76 CTSS (0.47) —

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 23 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-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-20140255347-A1 Macrocyclic Inhibitors Of Hepatitis C Virus JANSSEN R&D IRELAND (IE) 2014-09-11 — — US disclosed
US-8754106-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN R&D IRELAND (IE) 2014-06-17 — — US disclosed
US-8349869-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2013-01-08 — — US disclosed
US-20120171157-A1 Macrocyclic Inhibitors Of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2012-07-05 — — US disclosed
US-8153800-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2012-04-10 — — US disclosed
US-8148399-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2012-04-03 — — US disclosed
US-20110295012-A1 Macrocyclic Inhibitors Of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2011-12-01 — — US disclosed
EP-2322516-A1 Intermediates for the preparation of Macrocyclic inhibitors of hepatitis c virus Tibotec Pharmaceuticals Ltd. (IE) 2011-05-18 — — EP disclosed
EP-1919898-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-01-26 — — EP disclosed
EP-1912999-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-01-05 — — EP disclosed
US-7666834-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-02-23 — — US disclosed
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-04-23 — — 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-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS ALDH1A1 2683/4885GAA 4099/4885HRH3 403/4885
US-20140255347-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, CYP3A7, HCCS ALDH1A1 2683/4885GAA 4099/4885HRH3 403/4885
US-20160235737-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS ALDH1A1 2683/4885GAA 4099/4885HRH3 403/4885
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus HCCS, CBR1, CYP2B6 ALDH1A1 2716/4885GAA 4302/4885HRH3 160/4885
US-20110295012-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, HCCS, CYP3A7 ALDH1A1 2770/4885GAA 4106/4885HRH3 431/4885
US-20120171157-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, CYP3A7, HCCS ALDH1A1 2683/4885GAA 4099/4885HRH3 403/4885
US-20150218153-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, CYP3A7, HCCS ALDH1A1 2683/4885GAA 4099/4885HRH3 403/4885

“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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