SCHEMBL4814030

SCHEMBL4814030

COC(=O)Cc1cncc2ccc(C#C[Si](C)(C)C)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.40
GABRA5 P31644 5/20 0.40
GABRG2 P18507 3/20 0.40
GABRB3 P28472 3/20 0.40
GABRA3 P34903 3/20 0.40
GABRA2 P47869 3/20 0.40
GABRA6 Q16445 2/20 0.40
GABRA4 P48169 2/20 0.40
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
GLA P06280 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 2/20 0.34
PDE10A Q9Y233 7/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
NPC1 O15118 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
SCHEMBL4816213 0.84 CYP11B1 (0.39) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL4811416 0.84 SLC22A12 (0.43) CYP11B1CYP11B2PDE10ASLC22A12
SCHEMBL4807855 0.77 CYP11B1 (0.41) CYP11B1CYP11B2KDM4EALDH1A1GLA
SCHEMBL14790312 0.76 PTGS1 (0.44) CYP11B1CYP11B2KDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL4809984 0.76 CYP11B1 (0.41) CYP11B1CYP11B2KDM4EALDH1A1GLA
SCHEMBL27764813 0.76 GABRA1 (0.36) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL4811504 0.76 CYP11B1 (0.43) CYP11B1CYP11B2KDM4EALDH1A1GAA
SCHEMBL3709826 0.72 GABRA1 (0.41) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL3152947 0.72 CYP4F2 (0.51) KDM4EALDH1A1GAAHPGDNPC1
SCHEMBL14564367 0.70 ALDH1A1 (0.40) CYP11B1CYP11B2KDM4EALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361661-B2 8-quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors NOVARTIS AG (CH) 2008-04-22 US disclosed
US-20060173181-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors BHALAY GURDIP 2006-08-03 US disclosed
US-20060106214-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors NOVARTIS AG (CH) 2006-05-18 US disclosed
US-7019136-B2 8-quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors NOVARTIS, AG (CH) 2006-03-28 US disclosed
US-6919337-B2 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors NOVARTIS, AG (CH) 2005-07-19 US disclosed
US-20050054660-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors BHALAY GURDIP (GB) 2005-03-10 US disclosed
US-20040038996-A1 8-Quinolinxanthine and 8-isoquinolinxant hine derivatives as PDE 5 inhibitors NOVARTIS AG (CH) 2004-02-26 US disclosed
EP-1268480-B1 8-QUINOLINXANTHINE AND 8-ISOQUINOLINXANTHINE DERIVATIVES AS PDE 5 INHIBITORS NOVARTIS AG (CH) 2003-11-05 EP disclosed
US-20030171384-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as pde 5 inhibitors BHALAY GURDIP (GB) 2003-09-11 US disclosed
US-20030114469-A1 Combinations COHEN DAVID SAUL (US) 2003-06-19 US disclosed
EP-1268480-A1 8-QUINOLINXANTHINE AND 8-ISOQUINOLINXANTHINE DERIVATIVES AS PDE 5 INHIBITORS Novartis AG (CH) 2003-01-02 EP disclosed
WO-2001077110-A1 8-QUINOLINXANTHINE AND 8-ISOQUINOLINXANTHINE DERIVATIVES AS PDE 5 INHIBITORS NOVARTIS AG (CH) 2001-10-18 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 (6 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-20030114469-A1 Combinations GPR119, SLC5A1, HMGCR GABRA1 2779/4885GABRA5 1209/4885GABRG2 2114/4885
US-20060106214-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A GABRA1 2428/4885GABRA5 859/4885GABRG2 2960/4885
US-20050054660-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A GABRA1 2525/4885GABRA5 885/4885GABRG2 3114/4885
US-20040038996-A1 8-Quinolinxanthine and 8-isoquinolinxant hine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A GABRA1 2395/4885GABRA5 846/4885GABRG2 3508/4885
US-20060173181-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A GABRA1 2525/4885GABRA5 885/4885GABRG2 3114/4885
US-20030171384-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as pde 5 inhibitors PDE5A, PDE3A, PDE2A GABRA1 3236/4885GABRA5 1298/4885GABRG2 3603/4885

“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.