SCHEMBL4226140

SCHEMBL4226140

[CH2]c1ccc2[nH]cc(CCN(C)C)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.68
SLC6A4 P31645 6/20 0.68
HTR2A P28223 4/20 0.68
HTR2C P28335 4/20 0.68
MPO P05164 2/20 0.68
HTR1D P28221 10/20 0.67
HTR1B P28222 8/20 0.67
HTR2B P41595 3/20 0.65
HTR7 P34969 3/20 0.65
HTR5A P47898 3/20 0.65
HTR6 P50406 3/20 0.65
HTR3E A5X5Y0 2/20 0.65
HTR3B O95264 2/20 0.65
HTR1E P28566 2/20 0.65
HTR1F P30939 2/20 0.65
HTR3A P46098 2/20 0.65
HTR4 Q13639 2/20 0.65
HTR3D Q70Z44 2/20 0.65
HTR3C Q8WXA8 2/20 0.65
CYP1A2 P05177 1/20 0.65

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
SCHEMBL29633081 0.83 HTR1A (0.70) HTR1ASLC6A4HTR2AHTR2CMPO
SCHEMBL4055413 0.83 HTR1A (0.70) HTR1ASLC6A4HTR2AHTR2CMPO
SCHEMBL1750785 0.81 SLC6A4 (0.83) HTR1ASLC6A4HTR2AHTR2CMPO
SCHEMBL2615142 0.81 MPO (1.00) HTR1ASLC6A4HTR2AHTR2CMPO
SCHEMBL2615141 0.81 MPO (1.00) HTR1ASLC6A4HTR2AHTR2CMPO
SCHEMBL25380394 0.81 SLC6A4 (0.83) HTR1ASLC6A4HTR2AHTR2CMPO
Bufotenine SCHEMBL518028 0.81 HTR2C (1.00) HTR1ASLC6A4HTR2AHTR2CMPO
SCHEMBL517473 0.81 SLC6A4 (0.83) HTR1ASLC6A4HTR2AHTR2CMPO
SCHEMBL29471382 0.81 SLC6A4 (0.83) HTR1ASLC6A4HTR2AHTR2CMPO
SCHEMBL29904417 0.81 MPO (1.00) HTR1ASLC6A4HTR2AHTR2CMPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730124-A4 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORP (US) 2009-04-01 EP claimed
EP-1730124-A1 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF Amphora Discovery Corporation (US) 2006-12-13 EP claimed
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 US claimed
WO-2005097758-A1 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-10-20 WO claimed
CN-102264395-A Liquid pharmaceutical compositions comprising a triptan compound and xylitol 2011-11-30 CN disclosed
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 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 (1 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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT HTR1A 3298/4885SLC6A4 1556/4885HTR2A 3380/4885

“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.