SCHEMBL3624007

SCHEMBL3624007

CCOC(=O)c1cc(CCOC2CCCCO2)c2ccc(Cc3cccc(Cl)c3F)cn2c1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.37
PDE3A Q14432 8/20 0.37
CMA1 P23946 6/20 0.33
P2RX3 P56373 2/20 0.33
MDM4 O15151 2/20 0.33
MDM2 Q00987 2/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MRGPRX4 Q96LA9 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
SCHEMBL13316635 0.89 PDE3B (0.36) PDE3BPDE3ACMA1MDM4MDM2
SCHEMBL3627969 0.82 PDE3B (0.41) PDE3BPDE3ACMA1KDM4EALDH1A1
SCHEMBL3620368 0.82 PDE3B (0.43) PDE3BPDE3ACMA1KDM4EALDH1A1
SCHEMBL13316622 0.80 PDE3B (0.41) PDE3BPDE3ACMA1KDM4EALDH1A1
SCHEMBL13316644 0.79 PDE3B (0.41) PDE3BPDE3ACMA1KDM4EALDH1A1
SCHEMBL13316642 0.79 PDE3B (0.38) PDE3BPDE3ACMA1KDM4EALDH1A1
SCHEMBL13316621 0.79 PDE3B (0.40) PDE3BPDE3ACMA1KDM4EALDH1A1
SCHEMBL13316646 0.77 CFD (0.37) PDE3BPDE3ATP53KDM4EALDH1A1
SCHEMBL13316648 0.77 PDE3B (0.38) PDE3BPDE3ATP53KDM4EALDH1A1
SCHEMBL13316657 0.76 MRGPRX4 (0.39) PDE3BPDE3ACMA1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745459-B2 Quinolizinone compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2010-06-29 US disclosed
US-7745459-B2 Quinolizinone compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2010-06-29 US disclosed
US-7745459-B2 Quinolizinone compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2010-06-29 US disclosed
US-20060084665-A1 Quinolizinone compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2006-04-20 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 (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-20060084665-A1 Quinolizinone compound and use thereof as HIV integrase inhibitor NQO2, ACE, CDK20 PDE3B 616/4885PDE3A 694/4885CMA1 738/4885

“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.