SCHEMBL6103269

SCHEMBL6103269

Fc1ccc(OC2CCNCC2)c(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.51
SLC6A2 P23975 5/20 0.51
SLC6A3 Q01959 3/20 0.51
IKBKB O14920 1/20 0.51
CHUK O15111 1/20 0.51
HRH1 P35367 3/20 0.47
UTS2R Q9UKP6 1/20 0.46
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
NMT1 P30419 2/20 0.45
SLC6A4 P31645 3/20 0.43

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
Hydrochloric Acid SCHEMBL2776680 0.98 HTR1A (0.50) HTR1ASLC6A2SLC6A3IKBKBCHUK
SCHEMBL13234945 0.91 HTR2C (0.55) HTR1ASLC6A2SLC6A3HTR2CHTR2B
Hydrochloric Acid SCHEMBL2943264 0.89 HTR2C (0.54) HTR1ASLC6A2SLC6A3HTR2CHTR2B
SCHEMBL30752830 0.88 PKM (0.45) HTR1ASLC6A2SLC6A3IKBKBCHUK
SCHEMBL262176 0.88 PKM (0.45) HTR1ASLC6A2SLC6A3IKBKBCHUK
SCHEMBL473045 0.87 HTR1A (0.51) HTR1ASLC6A2SLC6A3IKBKBCHUK
Tert-Butyl Formate SCHEMBL27805796 0.86 UTS2R (0.43) HTR1ASLC6A2SLC6A3IKBKBCHUK
Hydrochloric Acid SCHEMBL3140594 0.86 HTR1A (0.50) HTR1ASLC6A2SLC6A3IKBKBCHUK
SCHEMBL16335376 0.85 PKM (0.42) SLC6A4
SCHEMBL941030 0.83 SLC6A2 (0.58) HTR1ASLC6A2SLC6A3HRH1HTR2C

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
CN-102046618-A Hydroxyquinoxalinecarboxamide derivative DAIICHI SANKYO CO LTD 2011-05-04 CN disclosed
US-20100004287-A1 Cyclic Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase MERCK FROSST CANADA LTD. (CA) 2010-01-07 US disclosed
US-20100004287-A1 Cyclic Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase MERCK FROSST CANADA LTD. (CA) 2010-01-07 US disclosed
US-20090099200-A1 Azacyclohexane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK FROSST CANADA LTD. (CA) 2009-04-16 US disclosed
US-20090099200-A1 Azacyclohexane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK FROSST CANADA LTD. (CA) 2009-04-16 US disclosed
WO-2007134457-A1 CYCLIC AMINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2007-11-29 WO disclosed
US-20060173041-A1 Sulphonylpiperidine derivatives containing an aryl or heteroaryl group for use as matrix metalloproteinase inhibitors ASTRAZENECA AB (SE) 2006-08-03 US disclosed
CN-1681503-A Sulphonylpiperidine derivatives containing an aryl or heteroaryl group for use as matrix metalloproteinase inhibitors ASTRAZENECA AB (SE) 2005-10-12 CN disclosed
EP-1539159-A1 SULPHONYLPIPERIDINE DERIVATIVES CONTAINING AN ARYL OR HETEROARYL GROUP FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS Astrazeneca AB (SE) 2005-06-15 EP disclosed
WO-2004006926-A1 SULPHONYLPIPERIDINE DERIVATIVES CONTAINING AN ARYL OR HETEROARYL GROUP FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2004-01-22 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 (3 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-20090099200-A1 Azacyclohexane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase SCD, SCD5, SREBF1 HTR1A 2883/4885SLC6A2 4749/4885SLC6A3 4660/4885
US-20060173041-A1 Sulphonylpiperidine derivatives containing an aryl or heteroaryl group for use as matrix metalloproteinase inhibitors MMP9, MMP2, MMP25 HTR1A 2823/4885SLC6A2 2472/4885SLC6A3 2745/4885
US-20100004287-A1 Cyclic Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase SCD, SCD5, CPT1A HTR1A 1930/4885SLC6A2 3390/4885SLC6A3 3729/4885

“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.