SCHEMBL517367

SCHEMBL517367

CN[C@@H](Cc1c[nH]c2cc(Br)c(Br)cc12)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 8/20 0.47
ICAM1 P05362 8/20 0.47
ITGAL P20701 8/20 0.47
FPR2 P25090 1/20 0.46
ALOX15 P16050 1/20 0.45
ACE P12821 3/20 0.44
CSNK2A1 P68400 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
ECE1 P42892 3/20 0.44

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
SCHEMBL31158208 0.84 ITGB2 (0.56) ITGB2ICAM1ITGALFPR2ALOX15
SCHEMBL30955895 0.80 ADAM17 (0.55) ITGB2ICAM1ITGALALOX15ACE
SCHEMBL12885480 0.80 NPSR1 (0.66) ALOX15
SCHEMBL18523423 0.80 NPSR1 (0.66) ALOX15
SCHEMBL31575704 0.80 NPSR1 (0.66) ALOX15
SCHEMBL29478383 0.79 ITGB2 (0.56) ITGB2ICAM1ITGALALOX15ACE
SCHEMBL14532940 0.79 HTR7 (0.56) ITGB2ICAM1ITGALALOX15ACE
SCHEMBL29984984 0.79 HTR2A (0.58) ITGB2ICAM1ITGALALOX15MTNR1A
SCHEMBL30138755 0.79 TSHR (0.59) ITGB2ICAM1ITGALMTNR1AMTNR1B
SCHEMBL26693248 0.79 KMT2A (0.64) ALOX15CSNK2A1MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268856-B2 Method to use compositions having antidepressant anxiolytic and other neurological activity and compositions of matter HAMANN MARK T (US) 2012-09-18 US disclosed
US-20120029010-A1 METHOD TO USE COMPOSITIONS HAVING ANTIDEPRESSANT ANXIOLYTIC AND OTHER NEUROLOGICAL ACTIVITY AND COMPOSITIONS OF MATTER HAMANN MARK T (US) 2012-02-02 US disclosed
EP-2209380-A1 METHOD TO USE COMPOSITIONS HAVING ANTIDEPRESSANT ANXIOLYTIC AND OTHER NEUROLOGICAL ACTIVITY AND COMPOSITIONS OF MATTER Triton Biopharma, Llc (US) 2010-07-28 EP disclosed
WO-2009049030-A1 METHOD TO USE COMPOSITIONS HAVING ANTIDEPRESSANT ANXIOLYTIC AND OTHER NEUROLOGICAL ACTIVITY AND COMPOSITIONS OF MATTER TRITON BIOPHARMA, LLC (US) 2009-04-16 WO disclosed
US-20090093513-A1 Method to Use Compositions Having Antidepressant Anxiolytic and Other Neurological Activity and Compositions of Matter HAMANN, MARK T. 2009-04-09 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 (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-20120029010-A1 METHOD TO USE COMPOSITIONS HAVING ANTIDEPRESSANT ANXIOLYTIC AND OTHER NEUROLOGICAL ACTIVITY AND COMPOSITIONS OF MATTER ACHE, CHAT, HTR3D ITGB2 2376/4885ICAM1 3636/4885ITGAL 2203/4885
US-20090093513-A1 Method to Use Compositions Having Antidepressant Anxiolytic and Other Neurological Activity and Compositions of Matter ACHE, CHAT, HTR3D ITGB2 2376/4885ICAM1 3636/4885ITGAL 2203/4885

“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.