SCHEMBL473045

SCHEMBL473045

Fc1ccc(Br)c(OC2CCNCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.51
SLC6A2 P23975 3/20 0.51
SLC6A3 Q01959 2/20 0.51
IKBKB O14920 1/20 0.51
CHUK O15111 1/20 0.51
SCD O00767 6/20 0.49
HRH1 P35367 3/20 0.47
NMT1 P30419 2/20 0.45
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42

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 SCHEMBL3140594 0.98 HTR1A (0.50) HTR1ASLC6A2SLC6A3IKBKBCHUK
SCHEMBL3880092 0.91 SLC6A2 (0.54) HTR1ASLC6A2SLC6A3IKBKBCHUK
SCHEMBL2944352 0.91 SLC6A2 (0.54) HTR1ASLC6A2SLC6A3IKBKBCHUK
Hydrochloric Acid SCHEMBL2949591 0.89 SLC6A2 (0.52) HTR1ASLC6A2SLC6A3SCDHTR2C
SCHEMBL13730861 0.88 SCD (0.53) SCD
SCHEMBL6103269 0.87 HTR1A (0.51) HTR1ASLC6A2SLC6A3IKBKBCHUK
Tert-Butyl Formate SCHEMBL27771463 0.86 IKBKB (0.41) HTR1ASLC6A2SLC6A3IKBKBCHUK
Hydrochloric Acid SCHEMBL2776680 0.86 HTR1A (0.50) HTR1ASLC6A2SLC6A3IKBKBCHUK
SCHEMBL3864751 0.83 SLC6A4 (0.51) HTR1ASLC6A2SLC6A3SCDHTR2C
SCHEMBL83203 0.83 SLC6A2 (0.62) HTR1ASLC6A2SLC6A3HRH1NMT1

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101589039-B Azacycloalkane derivatives as inhibitors of stearoyl-coenzyme A delta-9 desaturase MERCK FROSST CANADA LTD 2012-09-05 CN disclosed
EP-2099793-B1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK CANADA INC (CA) 2012-02-01 EP disclosed
EP-2099793-B1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK CANADA INC (CA) 2012-02-01 EP disclosed
US-8063224-B2 [5-(5-{4-[2-(Trifluoromethyl)phenoxy]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)-2H-tetrazol-2-yl]acetic acid; metabolic disorders,antidiabetic, hypoglycemic agent; obesity, insulin resistance, liver steatosis, atherosclerosis, neurological disease, dyslipidemia, hyperlipidemia, low HDL, and high LDL MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-8063224-B2 [5-(5-{4-[2-(Trifluoromethyl)phenoxy]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)-2H-tetrazol-2-yl]acetic acid; metabolic disorders,antidiabetic, hypoglycemic agent; obesity, insulin resistance, liver steatosis, atherosclerosis, neurological disease, dyslipidemia, hyperlipidemia, low HDL, and high LDL MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-8063224-B2 [5-(5-{4-[2-(Trifluoromethyl)phenoxy]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)-2H-tetrazol-2-yl]acetic acid; metabolic disorders,antidiabetic, hypoglycemic agent; obesity, insulin resistance, liver steatosis, atherosclerosis, neurological disease, dyslipidemia, hyperlipidemia, low HDL, and high LDL MERCK CANADA INC. (CA) 2011-11-22 US disclosed
WO-2011030312-A1 NOVEL INHIBITORS OF STEAROYL-CoA-DESATURASE-1 AND THEIR USES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-03-17 WO disclosed
US-20100197692-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. 2010-08-05 US disclosed
US-20100197692-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. 2010-08-05 US disclosed
US-20100197692-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. 2010-08-05 US disclosed
WO-2008064474-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-06-05 WO disclosed
WO-2008064474-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-06-05 WO disclosed
US-20080132542-A1 Azacycloalkane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK CANADA INC. (CA) 2008-06-05 US disclosed
US-20080132542-A1 Azacycloalkane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK CANADA INC. (CA) 2008-06-05 US disclosed
US-20080132542-A1 Azacycloalkane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK CANADA INC. (CA) 2008-06-05 US disclosed
WO-2008046226-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-04-24 WO disclosed
WO-2008046226-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-04-24 WO disclosed
WO-2008017161-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-02-14 WO disclosed
WO-2008017161-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-02-14 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20100197692-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, CPT1A HTR1A 2740/4885SLC6A2 4504/4885SLC6A3 4471/4885
US-20080132542-A1 Azacycloalkane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase SCD, SCD5, SREBF1 HTR1A 3154/4885SLC6A2 4782/4885SLC6A3 4753/4885

“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.