SCHEMBL2060177

SCHEMBL2060177

Brc1ccc2c(c1)CCC(N1CCCC1)C2

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.57
HTR1D P28221 2/20 0.46
GRIN2B Q13224 2/20 0.44
CYP11B2 P19099 1/20 0.44
L3MBTL3 Q96JM7 5/20 0.43
MBTD1 Q05BQ5 4/20 0.43
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
FYN P06241 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
L3MBTL4 Q8NA19 1/20 0.40
ADRA2A P08913 1/20 0.38
PNMT P11086 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38

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
SCHEMBL4135489 1.00 FAAH (0.57) FAAHHTR1DGRIN2BCYP11B2L3MBTL3
SCHEMBL4141990 1.00 FAAH (0.57) FAAHHTR1DGRIN2BCYP11B2L3MBTL3
Hydrochloric Acid SCHEMBL29113494 0.98 FAAH (0.56) FAAHHTR1DGRIN2BCYP11B2L3MBTL3
SCHEMBL2085025 0.98 FAAH (0.56) FAAHHTR1DGRIN2BCYP11B2L3MBTL3
SCHEMBL29113473 0.97 FAAH (0.57) FAAHHTR1DGRIN2BCYP11B2L3MBTL3
SCHEMBL24698220 0.90 L3MBTL3 (0.48) FAAHHTR1DGRIN2BL3MBTL3MBTD1
SCHEMBL24698754 0.90 L3MBTL3 (0.48) FAAHHTR1DGRIN2BL3MBTL3MBTD1
SCHEMBL2085878 0.86 FAAH (0.54) FAAHHTR1DGRIN2BCYP11B2ADRA2A
Hydrochloric Acid SCHEMBL9341249 0.85 FAAH (0.53) FAAHHTR1DGRIN2BCYP11B2ADRA2A
SCHEMBL24740684 0.82 HTR1D (0.47) FAAHHTR1DGRIN2BL3MBTL3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 US claimed
EP-2007749-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR Pfizer Products Inc. (US) 2008-12-31 EP claimed
WO-2007105053-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-09-20 WO claimed
EP-2307375-B1 PHENANTHRENONE COMPOUNDS, COMPOSITIONS AND METHODS PFIZER (US) 2014-11-19 EP disclosed
US-8552035-B2 Phenanthrenone compounds, compositions and methods PFIZER INC. (US) 2013-10-08 US disclosed
US-20120157502-A1 PHENANTHRENONE COMPOUNDS, COMPOSITIONS AND METHODS PFIZER INC. (US) 2012-06-21 US disclosed
US-8148409-B2 Phenathrenone compounds, compositons and methods PFIZER INC. (US) 2012-04-03 US disclosed
US-7902191-B2 Histamine H3 receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2011-03-08 US disclosed
US-20100069444-A1 PHENATHRENONE COMPOUNDS, COMPOSITONS AND METHODS PFIZER, INC. (US) 2010-03-18 US disclosed
US-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 US disclosed
EP-2007749-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR Pfizer Products Inc. (US) 2008-12-31 EP disclosed
WO-2007105053-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-09-20 WO disclosed
US-20070155754-A1 Histamine h3 receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY 2007-07-05 US disclosed
EP-1720861-A2 HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082893-A2 HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-09-09 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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR HRH3, HRH4, HRH1 FAAH 217/4885HTR1D 25/4885GRIN2B 86/4885
US-20120157502-A1 PHENANTHRENONE COMPOUNDS, COMPOSITIONS AND METHODS NR3C2, NR3C1, MC2R FAAH 3260/4885HTR1D 611/4885GRIN2B 240/4885
US-20070155754-A1 Histamine h3 receptor antagonists, preparation and therapeutic uses HRH3, HRH4, HRH2 FAAH 135/4885HTR1D 82/4885GRIN2B 548/4885
US-20100069444-A1 PHENATHRENONE COMPOUNDS, COMPOSITONS AND METHODS NR3C2, NR3C1, MC2R FAAH 1715/4885HTR1D 288/4885GRIN2B 244/4885

“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.