SCHEMBL995146

SCHEMBL995146

CCOCOC1CC2C(=O)NC3(C(=O)O)CC3C=CCCCCCN(Cc3ccc(OC)cc3)C(=O)N2C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ CTSB P07858 1/20 0.34
▸ OPRM1 P35372 3/20 0.32
▸ OPRL1 P41146 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ALOX15 P16050 1/20 0.31
▸ MMP1 P03956 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30
▸ KDM4E B2RXH2 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
SCHEMBL995143 1.00 ADRB3 (0.37) ADRB3ADRA2BADRA2CCTSBOPRM1
SCHEMBL13502622 1.00 ADRB3 (0.37) ADRB3ADRA2BADRA2CCTSBOPRM1
SCHEMBL3526970 0.94 ADRB3 (0.32) ADRB3ADRA2BADRA2CCTSBOPRM1
SCHEMBL995274 0.93 ALDH1A1 (0.34) ADRB3ADRA2BADRA2CCTSBOPRM1
SCHEMBL995273 0.93 ALDH1A1 (0.34) ADRB3ADRA2BADRA2CCTSBOPRM1
SCHEMBL8249055 0.93 ALDH1A1 (0.34) ADRB3ADRA2BADRA2CCTSBOPRM1
SCHEMBL13502623 0.89 CTSB (0.45) ADRB3ADRA2BADRA2CCTSB
SCHEMBL16628772 0.87 ADRB3 (0.36) ADRB3ADRA2BADRA2CCTSBOPRM1
SCHEMBL16628773 0.87 ADRB3 (0.36) ADRB3ADRA2BADRA2CCTSBOPRM1
SCHEMBL3528216 0.86 ADRB3 (0.38) ADRB3ADRA2BADRA2CCTSBOPRM1

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 ADRB3 1970/4885ADRA2B 1605/4885ADRA2C 3360/4885
US-20090247512-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP2B6, HCCS ADRB3 2768/4885ADRA2B 3795/4885ADRA2C 2929/4885

“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.

Send feedback