SCHEMBL3213036

SCHEMBL3213036

O=C(OCc1ccccc1)N1CCCC1c1nc2cc(Br)ccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.50
HCRTR2 O43614 6/20 0.50
AADAT Q8N5Z0 1/20 0.46
GRIN2B Q13224 1/20 0.46
PRCP P42785 4/20 0.45
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
PREP P48147 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
SCHEMBL3213021 1.00 HCRTR1 (0.50) HCRTR1HCRTR2AADATGRIN2BPRCP
SCHEMBL3209134 0.93 HCRTR1 (0.59) HCRTR1HCRTR2AADATGRIN2BPRCP
SCHEMBL12075233 0.93 HCRTR1 (0.59) HCRTR1HCRTR2AADATGRIN2BPRCP
SCHEMBL12509691 0.90 AADAT (0.47) HCRTR1HCRTR2AADATGRIN2BPRCP
SCHEMBL13191114 0.89 GRIN2B (0.48) HCRTR1HCRTR2AADATGRIN2BPRCP
SCHEMBL2193341 0.89 AADAT (0.46) HCRTR1HCRTR2AADATGRIN2BPRCP
SCHEMBL1045345 0.89 AADAT (0.46) HCRTR1HCRTR2AADATGRIN2BPRCP
SCHEMBL14948408 0.88 AADAT (0.46) HCRTR1HCRTR2AADATTMEM97SIGMAR1
SCHEMBL933934 0.88 AADAT (0.46) HCRTR1HCRTR2AADATGRIN2BPRCP
SCHEMBL12509784 0.88 TMEM97 (0.49) HCRTR1HCRTR2AADATGRIN2BPRCP

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 HCRTR1 2912/4885HCRTR2 3926/4885AADAT 2338/4885
US-20100055071-A1 Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 HCRTR1 2912/4885HCRTR2 3926/4885AADAT 2338/4885

“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.