SCHEMBL995145

SCHEMBL995145

CCOCOC1CC2C(=O)NC(C(=O)O)CCC=CCCCCCN(Cc3ccc(OC)cc3)C(=O)[N+]2C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 2/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ CYP2C9 P11712 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ADRB2 P07550 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRL1 P41146 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ SIGMAR1 Q99720 1/20 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
SCHEMBL3526341 0.93 ALDH1A1 (0.34) MMP1MMP13HRH3ALDH1A1L3MBTL1
SCHEMBL995887 0.81 ALDH1A1 (0.36) MMP1MMP13HRH3ALDH1A1L3MBTL1
SCHEMBL3308959 0.81 KCNH2 (0.36) MEN1KMT2ALMNA
SCHEMBL996970 0.80 MCHR1 (0.33) MMP1MMP13HRH3ALDH1A1L3MBTL1
SCHEMBL3309953 0.80 CTSB (0.33) MMP1MMP13MEN1KMT2A
SCHEMBL994826 0.77 ALDH1A1 (0.35) MMP1ALDH1A1MMP9KDM4EALOX15
SCHEMBL3308918 0.77 MCHR1 (0.35) HRH3ALDH1A1L3MBTL1KDM4ECYP3A4
SCHEMBL3314022 0.76 ALDH1A1 (0.32) HRH3ALDH1A1KDM4ECYP3A4CYP2D6
SCHEMBL3552292 0.76 FAAH (0.31) —
SCHEMBL2839916 0.74 ALDH1A1 (0.33) ALDH1A1KDM4ECYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023808-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2015-05-05 — — US disclosed
EP-2111396-B1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES JANSSEN R & D IRELAND (IE) 2013-08-07 — — EP disclosed
US-8383584-B2 HCV inhibiting macrocyclic phenylcarbamates MEDIVIR AB (SE) 2013-02-26 — — US disclosed
EP-1919898-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-01-26 — — EP disclosed
EP-1919899-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-01-19 — — EP disclosed
US-7666834-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-02-23 — — US disclosed
US-20100041728-A1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES MEDIVIR AB 2010-02-18 — — US 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
WO-2008096001-A1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES 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 (2 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-20100041728-A1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES COPB1, HAVCR2, NOD1 MMP1 3397/4885MMP13 3182/4885HRH3 4804/4885
US-20090247512-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP2B6, HCCS MMP1 4170/4885MMP13 3377/4885HRH3 589/4885

“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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