SCHEMBL8201340

SCHEMBL8201340

CN1C(=O)COc2ccc(CN)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
HTR1A P08908 5/20 0.47
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
HTR1D P28221 3/20 0.46
HTR1B P28222 3/20 0.46
SLC6A4 P31645 1/20 0.46
KCNH2 Q12809 1/20 0.46
KLKB1 P03952 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
PTGER3 P43115 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
HTR2C P28335 1/20 0.41
GRM4 Q14833 1/20 0.41
USP30 Q70CQ3 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRA5 P31644 1/20 0.40

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
SCHEMBL764050 0.86 PARP1 (0.50) PDE3BPDE3AHTR1ADRD2HTR2A
SCHEMBL9197069 0.85 PDE3B (0.48) PDE3BPDE3AHTR1ADRD2HTR2A
SCHEMBL554626 0.85 PDE3B (0.48) PDE3BPDE3AHTR1ADRD2HTR2A
SCHEMBL8249215 0.84 HTR1A (0.52) PDE3BPDE3AHTR1ADRD2HTR2A
SCHEMBL8185283 0.82 PDE3B (0.46) PDE3BPDE3AHTR1ADRD2HTR2A
SCHEMBL13164143 0.82 HTT (0.48) HTR1AHTR1DHTR1BSLC6A4TSHR
SCHEMBL4173618 0.82 HTR1A (0.51) PDE3BPDE3AHTR1ADRD2HTR2A
SCHEMBL14072145 0.82 HTR1A (0.34) PDE3BPDE3AHTR1ADRD2HTR2A
SCHEMBL13164150 0.81 HTR1A (0.42) HTR1AHTR1DHTR1BTSHRHTT
SCHEMBL8199914 0.81 PDE3B (0.45) PDE3BPDE3AHTR1ADRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
WO-2008109180-A2 METALLOPROTEASE INHIBITORS CONTAINING A HETEROCYCLIC MOIETY ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-09-12 WO disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 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 (4 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 PDE3B 605/4885PDE3A 767/4885HTR1A 2896/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PDE3B 605/4885PDE3A 767/4885HTR1A 2896/4885
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PDE3B 550/4885PDE3A 605/4885HTR1A 3081/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PDE3B 605/4885PDE3A 767/4885HTR1A 2896/4885

“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.