SCHEMBL1807006

SCHEMBL1807006

O=C(O)N1C[C@H]2CCNc3c(Br)cccc3[C@@H]2C1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.35
HCRTR1 O43613 5/20 0.34
HCRTR2 O43614 5/20 0.34
CCR5 P51681 1/20 0.34
BACE1 P56817 1/20 0.34
CHRNB2 P17787 3/20 0.33
CHRNB4 P30926 3/20 0.33
CHRNA3 P32297 3/20 0.33
CHRNA4 P43681 3/20 0.33
CHRNA7 P36544 2/20 0.33
POLB P06746 1/20 0.32
L3MBTL3 Q96JM7 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
PSD A5PKW4 1/20 0.31
MBTD1 Q05BQ5 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
SCHEMBL1807004 1.00 HSD11B1 (0.35) HSD11B1HCRTR1HCRTR2CCR5BACE1
SCHEMBL1807008 1.00 HSD11B1 (0.35) HSD11B1HCRTR1HCRTR2CCR5BACE1
SCHEMBL1806296 0.85 F12 (0.39) HSD11B1CCR5CHRNB2CHRNB4CHRNA3
SCHEMBL1806293 0.85 F12 (0.39) HSD11B1CCR5CHRNB2CHRNB4CHRNA3
SCHEMBL1806294 0.85 F12 (0.39) HSD11B1CCR5CHRNB2CHRNB4CHRNA3
SCHEMBL1803898 0.81 CHRNA4 (0.31) CHRNA4
SCHEMBL1803901 0.81 CHRNA4 (0.31) CHRNA4
SCHEMBL1803904 0.81 CHRNA4 (0.31) CHRNA4
SCHEMBL1807264 0.79 HCRTR1 (0.36) HSD11B1HCRTR1HCRTR2
SCHEMBL1807266 0.79 HCRTR1 (0.36) HSD11B1HCRTR1HCRTR2

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 HSD11B1 980/4885HCRTR1 26/4885HCRTR2 27/4885

“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.