SCHEMBL8276151

SCHEMBL8276151

CCc1nccc2c3c(ccc12)OCC3

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MTNR1A P48039 4/20 0.36
MTNR1B P49286 4/20 0.36
HTR2A P28223 7/20 0.35
HTR2C P28335 6/20 0.35
HTR2B P41595 4/20 0.35
SLC9A1 P19634 1/20 0.33
DRD2 P14416 2/20 0.32
DRD3 P35462 2/20 0.32
EED O75530 1/20 0.32
SUZ12 Q15022 1/20 0.32
EZH2 Q15910 1/20 0.32
DRD1 P21728 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
SCHEMBL8372409 0.80 PDE3B (0.39) PDE3BPDE3AKDM4EMTNR1A
SCHEMBL8277403 0.80 DRD1 (0.39) PDE3BPDE3ASLC9A1EEDSUZ12
SCHEMBL1536445 0.76 LMNA (0.41) SLC9A1DRD1
SCHEMBL7818979 0.76 HTR2A (0.33) HTR2AHTR2CHTR2BSLC9A1DRD2
SCHEMBL8271685 0.76 DRD1 (0.39) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL8272973 0.76 HTR2A (0.35) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL8277400 0.76 PDE3B (0.38) PDE3BPDE3AKDM4E
SCHEMBL13302264 0.74 BAD (0.40) PDE3BPDE3AKDM4E
SCHEMBL13409369 0.72 DRD1 (0.37) MTNR1BHTR2AHTR2CHTR2BEED
SCHEMBL3798049 0.69 EED (0.37) HTR2ADRD2DRD3EEDSUZ12

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-1771453-B1 HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS BOEHRINGER INGELHEIM INT (DE) 2012-05-30 EP disclosed
US-7741281-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 US disclosed
US-7705146-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-27 US disclosed
US-7511157-B2 racemic mixtures, stereoisomers or optical isomers, useful as protease inhibitors; viricides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 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
WO-2006007700-A1 HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-26 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 (1 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-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 PDE3B 3051/4885PDE3A 2604/4885KDM4E 944/4885

“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.