SCHEMBL3220048

SCHEMBL3220048

O=C(OCc1ccccc1)N1CCC[C@H]1c1nc2ccc(-c3ccc4[nH]ccc4c3)cc2s1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 8/20 0.48
ENPP2 Q13822 1/20 0.47
HSD11B1 P28845 1/20 0.40
TMEM97 Q5BJF2 3/20 0.39
SIGMAR1 Q99720 3/20 0.39
PREP P48147 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
CPT2 P23786 1/20 0.38
CPT1A P50416 1/20 0.38

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
SCHEMBL3220063 1.00 AADAT (0.48) AADATENPP2HSD11B1TMEM97SIGMAR1
SCHEMBL14160545 0.84 AADAT (0.50) AADATHSD11B1TMEM97SIGMAR1PREP
SCHEMBL3219705 0.84 ENPP2 (0.48) AADATENPP2
SCHEMBL3224392 0.84 ENPP2 (0.48) AADATENPP2
SCHEMBL3214970 0.82 ENPP2 (0.47) AADATENPP2TMEM97SIGMAR1PREP
SCHEMBL3200657 0.82 ENPP2 (0.47) AADATENPP2TMEM97SIGMAR1PREP
SCHEMBL3226009 0.82 AADAT (0.56) AADATHSD11B1TMEM97SIGMAR1PREP
SCHEMBL3225994 0.82 AADAT (0.56) AADATHSD11B1TMEM97SIGMAR1PREP
SCHEMBL3260685 0.82 AADAT (0.48) AADATENPP2LIPGCPT1A
SCHEMBL3220842 0.82 AADAT (0.48) AADATENPP2LIPGCPT1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100055071-A1 Anti-Viral Compounds SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-20100055071-A1 Anti-Viral Compounds SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-20100055071-A1 Anti-Viral Compounds SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
EP-2097405-A2 ANTI-VIRAL COMPOUNDS Smithkline Beecham Corporation (US) 2009-09-09 EP disclosed
US-20080193411-A1 Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-08-14 US disclosed
US-20080193411-A1 Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-08-14 US disclosed
US-20080193411-A1 Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-08-14 US disclosed
WO-2008070447-A2 ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO disclosed
WO-2008070447-A2 ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 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-20080193411-A1 Anti-viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 AADAT 2338/4885ENPP2 1731/4885HSD11B1 540/4885
US-20100055071-A1 Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 AADAT 2338/4885ENPP2 1731/4885HSD11B1 540/4885

“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.