SCHEMBL2944352

SCHEMBL2944352

Fc1ccc(Br)c(O[C@H]2CCNC2)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.54
HTR1A P08908 7/20 0.54
HTR2C P28335 4/20 0.52
HTR2B P41595 4/20 0.52
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KCNH2 Q12809 1/20 0.47
SCD O00767 2/20 0.45
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 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
SCHEMBL3880092 1.00 SLC6A2 (0.54) SLC6A2HTR1AHTR2CHTR2BSLC6A4
Hydrochloric Acid SCHEMBL2949591 0.98 SLC6A2 (0.52) SLC6A2HTR1AHTR2CHTR2BSLC6A4
SCHEMBL473045 0.91 HTR1A (0.51) SLC6A2HTR1AHTR2CHTR2BSLC6A3
Hydrochloric Acid SCHEMBL3140594 0.89 HTR1A (0.50) SLC6A2HTR1AHTR2CHTR2BSLC6A3
SCHEMBL13234945 0.88 HTR2C (0.55) SLC6A2HTR1AHTR2CHTR2BSLC6A4
SCHEMBL3864751 0.87 SLC6A4 (0.51) SLC6A2HTR1AHTR2CHTR2BSLC6A4
Hydrochloric Acid SCHEMBL2943264 0.87 HTR2C (0.54) SLC6A2HTR1AHTR2CHTR2BSLC6A4
Hydrochloric Acid SCHEMBL2160831 0.86 SLC6A4 (0.50) SLC6A2HTR1AHTR2CHTR2BSLC6A4
SCHEMBL23161332 0.84 SLC6A2 (0.64) SLC6A2HTR1AHTR2CHTR2BSLC6A4
Hydrochloric Acid SCHEMBL72907 0.83 SLC6A2 (0.62) SLC6A2HTR1AHTR2CHTR2BSLC6A4

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-7754745-B2 Azacyclopentane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK FROSST CANADA LTD. (CA) 2010-07-13 US disclosed
US-7754745-B2 Azacyclopentane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK FROSST CANADA LTD. (CA) 2010-07-13 US disclosed
US-7754745-B2 Azacyclopentane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK FROSST CANADA LTD. (CA) 2010-07-13 US disclosed
US-20090093527-A1 Azacyclopentane Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase MERCK FROSST CANADA LTD. (CA) 2009-04-09 US disclosed
US-20090093527-A1 Azacyclopentane Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase MERCK FROSST CANADA LTD. (CA) 2009-04-09 US disclosed
US-20090093527-A1 Azacyclopentane Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase MERCK FROSST CANADA LTD. (CA) 2009-04-09 US disclosed
EP-2032570-A1 AZACYCLOPENTANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2009-03-11 EP disclosed
WO-2007143824-A1 AZACYCLOPENTANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2007-12-21 WO disclosed
WO-2007143824-A1 AZACYCLOPENTANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2007-12-21 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 (1 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-20090093527-A1 Azacyclopentane Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase SCD, SCD5, SREBF1 SLC6A2 4386/4885HTR1A 2725/4885HTR2C 4631/4885

“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.