SCHEMBL1803329

SCHEMBL1803329

Fc1cccc2c1OCC[C@@H]1CNC[C@@H]21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.47
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNA7 P36544 1/20 0.35
HTR2C P28335 6/20 0.34
ADRA2B P18089 2/20 0.33
ADRA1A P35348 2/20 0.33
JAK2 O60674 5/20 0.33
JAK3 P52333 5/20 0.33
JAK1 P23458 2/20 0.33
TERT O14746 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HTR2B P41595 2/20 0.31
HTR2A P28223 1/20 0.31
KDM1A O60341 1/20 0.31
ADRA2C P18825 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
SCHEMBL2598888 1.00 ADRA2A (0.47) ADRA2ACHRNB2CHRNA4CHRNA7HTR2C
SCHEMBL1803326 1.00 ADRA2A (0.47) ADRA2ACHRNB2CHRNA4CHRNA7HTR2C
SCHEMBL1803327 1.00 ADRA2A (0.47) ADRA2ACHRNB2CHRNA4CHRNA7HTR2C
SCHEMBL1804043 0.85 ADRA2A (0.47) ADRA2AHTR2CADRA2BADRA1AHTR2B
SCHEMBL2599009 0.85 ADRA2A (0.47) ADRA2AHTR2CADRA2BADRA1AHTR2B
SCHEMBL1804040 0.85 ADRA2A (0.47) ADRA2AHTR2CADRA2BADRA1AHTR2B
SCHEMBL1804044 0.85 ADRA2A (0.47) ADRA2AHTR2CADRA2BADRA1AHTR2B
SCHEMBL1802872 0.82 ADRA2A (0.47) ADRA2AHTR2CADRA2BADRA1AHTR2B
SCHEMBL2599029 0.82 ADRA2A (0.47) ADRA2AHTR2CADRA2BADRA1AHTR2B
SCHEMBL1804388 0.82 ADRA2A (0.47) ADRA2AHTR2CADRA2BADRA1AHTR2B

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-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP claimed
US-8846951-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US 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 ADRA2A 81/4885CHRNB2 273/4885CHRNA4 208/4885

“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.