SCHEMBL3064120

SCHEMBL3064120

CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)O)NC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C1=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.46
▸ ADRA2B P18089 1/20 0.46
▸ ADRA2C P18825 1/20 0.46
▸ PDE4B Q07343 1/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ BACE1 P56817 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CASP3 P42574 1/20 0.34
▸ NPY1R P25929 1/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ ABCB1 P08183 1/20 0.32
▸ CTSL P07711 1/20 0.32

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
SCHEMBL4956077 1.00 ADRB3 (0.46) ADRB3ADRA2BADRA2CPDE4BCYP3A4
SCHEMBL3065116 0.93 ADRB3 (0.42) ADRB3ADRA2BADRA2CPDE4BCYP3A4
SCHEMBL7816132 0.90 ADRB3 (0.38) ADRB3ADRA2BADRA2CPDE4BCYP3A4
SCHEMBL7874760 0.89 ADRB3 (0.49) ADRB3ADRA2BADRA2CPDE4BCYP3A4
SCHEMBL13059152 0.87 ADRB3 (0.49) ADRB3ADRA2BADRA2CPDE4BCYP3A4
SCHEMBL13059012 0.87 ADRB3 (0.49) ADRB3ADRA2BADRA2CPDE4BCYP3A4
SCHEMBL12844310 0.87 ADRB3 (0.47) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL8380524 0.87 ADRB3 (0.47) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL12340380 0.86 ADRB3 (0.46) ADRB3ADRA2BADRA2CCYP3A4BACE1
SCHEMBL13711964 0.86 ADRB3 (0.47) ADRB3ADRA2BADRA2CCYP3A4BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086994-B1 INHIBITORS OF HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2014-11-26 — — EP disclosed
EP-1951743-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-03-19 — — EP disclosed
US-7741281-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 — — US disclosed
US-20080107625-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 — — US disclosed
US-20080107623-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 — — US disclosed
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients BRISTOL-MYERS SQUIBB COMPANY 2007-05-03 — — 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 (3 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-20080107623-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP ADRB3 3491/4885ADRA2B 3677/4885ADRA2C 3435/4885
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients TERT, VIP, YWHAZ ADRB3 4271/4885ADRA2B 3441/4885ADRA2C 3291/4885
US-20080107625-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP ADRB3 3491/4885ADRA2B 3677/4885ADRA2C 3435/4885

“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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