SCHEMBL517481

SCHEMBL517481

CN(C)CCc1c[nH]c2cc(Br)c(Br)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 9/20 0.61
HTR1A P08908 8/20 0.61
HTR2C P28335 8/20 0.61
HTR2A P28223 7/20 0.61
HTR1B P28222 7/20 0.61
HTR2B P41595 6/20 0.61
HTR6 P50406 6/20 0.61
HTR3E A5X5Y0 4/20 0.61
HTR3B O95264 4/20 0.61
HTR1E P28566 4/20 0.61
HTR1F P30939 4/20 0.61
HTR7 P34969 4/20 0.61
HTR3A P46098 4/20 0.61
HTR5A P47898 4/20 0.61
HTR4 Q13639 4/20 0.61
HTR3D Q70Z44 4/20 0.61
HTR3C Q8WXA8 4/20 0.61
SLC6A4 P31645 2/20 0.59
MPO P05164 1/20 0.59
CYP1A2 P05177 1/20 0.56

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
SCHEMBL27517077 0.83 CSNK2A1 (0.56) HTR1DHTR1AHTR2CHTR2AHTR1B
SCHEMBL15701965 0.81 HTR1D (0.63) HTR1DHTR1AHTR2CHTR2AHTR1B
SCHEMBL18824168 0.81 HTR2A (0.68) HTR1DHTR1AHTR2CHTR2AHTR1B
SCHEMBL517473 0.81 SLC6A4 (0.83) HTR1DHTR1AHTR2CHTR2AHTR1B
SCHEMBL29471382 0.81 SLC6A4 (0.83) HTR1DHTR1AHTR2CHTR2AHTR1B
SCHEMBL25747532 0.80 HTR1A (0.74) HTR1DHTR1AHTR2CHTR2AHTR1B
SCHEMBL30483734 0.80 HTR1A (0.74) HTR1DHTR1AHTR2CHTR2AHTR1B
SCHEMBL31377418 0.78 HTR1A (0.79) HTR1DHTR1AHTR2CHTR2AHTR1B
SCHEMBL26602823 0.78 HTR1A (0.79) HTR1DHTR1AHTR2CHTR2AHTR1B
SCHEMBL3190334 0.77 HTR2A (0.65) HTR1DHTR1AHTR2CHTR2AHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 HTR1D 48/4885HTR1A 16/4885HTR2C 117/4885
US-20090093513-A1 Method to Use Compositions Having Antidepressant Anxiolytic and Other Neurological Activity and Compositions of Matter ACHE, CHAT, HTR3D HTR1D 48/4885HTR1A 16/4885HTR2C 117/4885

“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.