SCHEMBL1806196

SCHEMBL1806196

Fc1ccc(-c2cccc3c2NCCC2CNCC32)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.36
HTR7 P34969 2/20 0.35
CYP11B2 P19099 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
DRD2 P14416 2/20 0.32
HTR2A P28223 2/20 0.32
KCNH2 Q12809 2/20 0.32
HTR1A P08908 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CTSK P43235 1/20 0.31
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
PTK2 Q05397 1/20 0.31

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
SCHEMBL1806193 1.00 HTR2C (0.36) HTR2CHTR7CYP11B2CHRNB2CHRNA4
SCHEMBL1806195 1.00 HTR2C (0.36) HTR2CHTR7CYP11B2CHRNB2CHRNA4
SCHEMBL1802260 0.76 HTR2C (0.39) HTR2CHTR7CYP11B2CHRNB2CHRNA4
SCHEMBL1802258 0.76 HTR2C (0.39) HTR2CHTR7CYP11B2CHRNB2CHRNA4
SCHEMBL1802259 0.76 HTR2C (0.39) HTR2CHTR7CYP11B2CHRNB2CHRNA4
SCHEMBL1807263 0.76 HCRTR1 (0.36) HTR2CHTR2ASLC6A4
SCHEMBL1807266 0.76 HCRTR1 (0.36) HTR2CHTR2ASLC6A4
SCHEMBL1804818 0.75 HTR2C (0.41) HTR2CHTR2AHTR1ASLC6A2SLC6A4
SCHEMBL2598045 0.75 HTR2C (0.41) HTR2CHTR2AHTR1ASLC6A2SLC6A4
SCHEMBL1804819 0.75 HTR2C (0.41) HTR2CHTR2AHTR1ASLC6A2SLC6A4

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
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP claimed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 US claimed
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP disclosed
US-8846951-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 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-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C HTR2C 4/4885HTR7 20/4885CYP11B2 464/4885

“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.