SCHEMBL1804013

SCHEMBL1804013

O=C(O)N1C[C@@H]2CCOc3c(Br)cccc3[C@H]2C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HSD11B1 P28845 1/20 0.33
CCR5 P51681 1/20 0.32
BACE1 P56817 1/20 0.32
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL2598834 1.00 ADRA2A (0.39) ADRA2AADRA2BADRA2CADRA1AHTR1A
SCHEMBL1806458 1.00 ADRA2A (0.39) ADRA2AADRA2BADRA2CADRA1AHTR1A
SCHEMBL1806459 1.00 ADRA2A (0.39) ADRA2AADRA2BADRA2CADRA1AHTR1A
SCHEMBL1804018 1.00 ADRA2A (0.39) ADRA2AADRA2BADRA2CADRA1AHTR1A
SCHEMBL1804015 1.00 ADRA2A (0.39) ADRA2AADRA2BADRA2CADRA1AHTR1A
SCHEMBL2599017 0.86 ACHE (0.40) HSD11B1
SCHEMBL1804905 0.86 ACHE (0.40) HSD11B1
SCHEMBL1804909 0.86 ACHE (0.40) HSD11B1
SCHEMBL1804907 0.86 ACHE (0.40) HSD11B1
SCHEMBL1806180 0.85 ADRA2A (0.39) ADRA2AADRA2BADRA2CADRA1AHSD11B1

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 3 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 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 81/4885ADRA2B 106/4885ADRA2C 38/4885

“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.