SCHEMBL3225994

SCHEMBL3225994

O=C(OCc1ccccc1)N1CCC[C@H]1c1nc2ccc(Br)cc2s1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 7/20 0.56
HSD11B1 P28845 1/20 0.44
PREP P48147 3/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TMEM97 Q5BJF2 3/20 0.44
SIGMAR1 Q99720 3/20 0.44
TGM2 P21980 1/20 0.43

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
SCHEMBL3226009 1.00 AADAT (0.56) AADATHSD11B1PREPLMNAHTT
SCHEMBL3261980 0.84 AADAT (0.52) AADATHSD11B1PREPSMN1; SMN2TMEM97
SCHEMBL14160545 0.84 AADAT (0.50) AADATHSD11B1PREPTMEM97SIGMAR1
SCHEMBL3261992 0.84 AADAT (0.52) AADATHSD11B1PREPSMN1; SMN2TMEM97
SCHEMBL3220048 0.82 AADAT (0.48) AADATHSD11B1PREPTMEM97SIGMAR1
SCHEMBL3220063 0.82 AADAT (0.48) AADATHSD11B1PREPTMEM97SIGMAR1
SCHEMBL3260685 0.81 AADAT (0.48) AADATSMN1; SMN2
SCHEMBL3220842 0.81 AADAT (0.48) AADATSMN1; SMN2
SCHEMBL10117812 0.79 AADAT (0.46) AADATPREPTMEM97SIGMAR1TGM2
SCHEMBL12075233 0.79 HCRTR1 (0.59) AADAT

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-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
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 2338/4885HSD11B1 540/4885PREP 113/4885
US-20100055071-A1 Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 AADAT 2338/4885HSD11B1 540/4885PREP 113/4885

“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.