SCHEMBL3864751

SCHEMBL3864751

Fc1ccc(Br)c(OC2CNC2)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.51
SLC6A2 P23975 4/20 0.51
SLC6A3 Q01959 3/20 0.51
HTR1A P08908 2/20 0.49
HTR6 P50406 1/20 0.48
SCD O00767 2/20 0.45
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44

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 SCHEMBL2160831 0.98 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3HTR1AHTR6
SCHEMBL2944352 0.87 SLC6A2 (0.54) SLC6A4SLC6A2SLC6A3HTR1ASCD
SCHEMBL3880092 0.87 SLC6A2 (0.54) SLC6A4SLC6A2SLC6A3HTR1ASCD
Hydrochloric Acid SCHEMBL2949591 0.86 SLC6A2 (0.52) SLC6A4SLC6A2SLC6A3HTR1ASCD
Tert-Butyl Formate SCHEMBL27792541 0.85 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3HTR1AHTR6
SCHEMBL13730861 0.84 SCD (0.53) SCD
SCHEMBL473045 0.83 HTR1A (0.51) SLC6A2SLC6A3HTR1ASCDHTR2C
SCHEMBL14957010 0.82 SLC6A2 (0.60) SLC6A4SLC6A2SLC6A3HTR1AHTR2C
Hydrochloric Acid SCHEMBL3140594 0.82 HTR1A (0.50) SLC6A2SLC6A3HTR1ASCDHTR2C
SCHEMBL14956969 0.79 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3HTR1AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183958-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. 2011-07-28 US disclosed
US-20110183958-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. 2011-07-28 US disclosed
WO-2010043052-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-04-22 WO disclosed
CN-101641347-A Azacycloalkane derivatives as inhibitors of stearoyl-coenzyme A delta-9 desaturase MERCK FROSST CANADA LTD CA 2010-02-03 CN disclosed
US-20090270434-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE LEBLANC YVES 2009-10-29 US disclosed
EP-2108015-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2009-10-14 EP disclosed
US-7582633-B2 Azacycloalkane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK FROSST CANADA L.L.C. (CA) 2009-09-01 US disclosed
US-20080182838-A1 Azacycloalkane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK CANADA INC. (CA) 2008-07-31 US disclosed
WO-2008089580-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-07-31 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-20080182838-A1 Azacycloalkane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase SCD, SCD5, SREBF1 SLC6A4 4787/4885SLC6A2 4782/4885SLC6A3 4753/4885
US-20110183958-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, FADS2 SLC6A4 3219/4885SLC6A2 2702/4885SLC6A3 2797/4885
US-20090270434-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 SLC6A4 4787/4885SLC6A2 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.