SCHEMBL3896352

SCHEMBL3896352

COc1ccc(C2CC(=O)N(c3cccc(N)c3)C2)cc1OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.66
PDE4B Q07343 8/20 0.66
PDE4C Q08493 8/20 0.66
PDE4D Q08499 8/20 0.66
HTR6 P50406 2/20 0.45
CSF1R P07333 2/20 0.45
REN P00797 2/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL13677775 0.92 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DCSF1R
SCHEMBL13677784 0.92 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DCSF1R
SCHEMBL13677778 0.92 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DCSF1R
SCHEMBL13677790 0.92 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL13677783 0.92 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3893978 0.90 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL13677657 0.90 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL13677787 0.89 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL13677774 0.89 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DCSF1R
SCHEMBL13677826 0.88 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DCSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601742-B2 4-(3-Hydroxy-4-methoxyphenyl)-pyrrolidin-2-one and derivatives; reverse transcriptase inhibitors; AIDS IRM LLC (BM) 2009-10-13 US disclosed
US-7601742-B2 4-(3-Hydroxy-4-methoxyphenyl)-pyrrolidin-2-one and derivatives; reverse transcriptase inhibitors; AIDS IRM LLC (BM) 2009-10-13 US disclosed
US-7601742-B2 4-(3-Hydroxy-4-methoxyphenyl)-pyrrolidin-2-one and derivatives; reverse transcriptase inhibitors; AIDS IRM LLC (BM) 2009-10-13 US disclosed
US-7495016-B2 Pyrrolidones with anti-HIV activity IRM LLC (BM) 2009-02-24 US disclosed
US-7495016-B2 Pyrrolidones with anti-HIV activity IRM LLC (BM) 2009-02-24 US disclosed
US-7495016-B2 Pyrrolidones with anti-HIV activity IRM LLC (BM) 2009-02-24 US disclosed
US-20080255136-A1 PYRROLIDONES WITH ANTI-HIV ACTIVITY IRM LLC (BM) 2008-10-16 US disclosed
US-20080255136-A1 PYRROLIDONES WITH ANTI-HIV ACTIVITY IRM LLC (BM) 2008-10-16 US disclosed
US-20080255136-A1 PYRROLIDONES WITH ANTI-HIV ACTIVITY IRM LLC (BM) 2008-10-16 US disclosed
US-20040157859-A1 Pyrrolidones with anti-HIV activity IRM LLC, A DELAWARE LLC (BM) 2004-08-12 US disclosed
WO-2004037784-A2 PYRROLIDONES WITH ANTI-HIV ACTIVITY IRM LLC (BM) 2004-05-06 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-20080255136-A1 PYRROLIDONES WITH ANTI-HIV ACTIVITY PREP, DHPS, PDCD11 PDE4A 1279/4885PDE4B 1650/4885PDE4C 1189/4885
US-20040157859-A1 Pyrrolidones with anti-HIV activity PREP, DHPS, PDCD11 PDE4A 1279/4885PDE4B 1650/4885PDE4C 1189/4885

“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.