SCHEMBL1641305

SCHEMBL1641305

CC(=O)c1c(O)ccnc1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
HSD17B10 Q99714 1/20 0.46
THRB P10828 1/20 0.44
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 2/20 0.35
HPGD P15428 1/20 0.35
PRKCI P41743 1/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
TOP2A P11388 2/20 0.33
ALDH1A1 P00352 3/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL8362451 0.84 HTT (0.51) HTTHSD17B10L3MBTL1CA9KDM4E
SCHEMBL6727082 0.81 CA12 (0.50) HTTHSD17B10CYP3A4HPGDLMNA
SCHEMBL9928615 0.71 SLC6A9 (0.42) HTTHSD17B10MEN1KMT2AL3MBTL1
SCHEMBL4570470 0.69 GLA (0.38) HTTHSD17B10MEN1KMT2ATSHR
SCHEMBL30797378 0.69 HTT (0.37) HTTHSD17B10L3MBTL1
SCHEMBL4380382 0.69 DYRK1A (0.39) HTTHSD17B10MEN1KMT2AHPGD
SCHEMBL15782796 0.69 THRB (0.45) THRBMEN1KMT2ACYP3A4HPGD
SCHEMBL11964238 0.69 HTT (0.51) HTTHSD17B10L3MBTL1KDM4EMAPT
SCHEMBL30522668 0.69 THRB (0.45) HTTTHRBMEN1KMT2ACYP3A4
SCHEMBL18865056 0.69 THRB (0.45) HTTTHRBMEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273767-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2012-09-25 US disclosed
US-7947711-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2011-05-24 US disclosed
US-20110098285-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-04-28 US disclosed
US-20090054420-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-02-26 US disclosed
US-7456196-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2008-11-25 US disclosed
US-7153889-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2006-12-26 US disclosed
US-20060194798-A1 Bicyclic-substituted amines as histamine-3 receptor ligands ABBVIE INC. 2006-08-31 US disclosed
EP-1569637-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS Abbott Laboratories (US) 2005-09-07 EP disclosed
US-20040152704-A1 Bicyclic-substituted amines as histamine-3 receptor ligands ABBVIE INC. 2004-08-05 US disclosed
WO-2004043458-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2004-05-27 WO 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 (4 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-20110098285-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS HRH3, HRH4, HRH2 HTT 1701/4885HSD17B10 3172/4885THRB 586/4885
US-20060194798-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH2 HTT 1701/4885HSD17B10 3172/4885THRB 586/4885
US-20090054420-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS HRH3, HRH4, HRH2 HTT 1701/4885HSD17B10 3172/4885THRB 586/4885
US-20040152704-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH1 HTT 2308/4885HSD17B10 2877/4885THRB 731/4885

“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.