SCHEMBL2926472

SCHEMBL2926472

N#Cc1cccc(CN2CCN(c3cc(=O)[nH]cn3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
FAAH O00519 1/20 0.47
RET P07949 1/20 0.45
PARP1 P09874 3/20 0.45
TNK2 Q07912 1/20 0.45
TNK1 Q13470 1/20 0.45
CHRM3 P20309 1/20 0.44
GPR6 P46095 2/20 0.43
DRD4 P21917 1/20 0.43
TACR1 P25103 1/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
CLPP Q16740 1/20 0.42
JAK2 O60674 2/20 0.42
JAK3 P52333 2/20 0.42
CYP17A1 P05093 1/20 0.42
CYP21A2 P08686 1/20 0.42
CYP11B1 P15538 1/20 0.42
TNKS O95271 1/20 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
SCHEMBL2924655 0.83 ALDH1A1 (0.61) HTR1ADRD2FAAHALDH1A1
SCHEMBL2926168 0.83 SMN1; SMN2 (0.50) DRD2FAAHDRD4ALDH1A1
SCHEMBL2926987 0.83 SIGMAR1 (0.55) HTR1ADRD2FAAHDRD4ALDH1A1
SCHEMBL2925554 0.83 ALDH1A1 (0.58) DRD2FAAHDRD4ALDH1A1
SCHEMBL2945093 0.81 CHKA (0.43) PARP1TNK2TNK1GPR6HCRTR1
SCHEMBL13809921 0.80 DRD2 (0.41) DRD2FAAHDRD4ALDH1A1
SCHEMBL2925534 0.79 MEN1 (0.56) FAAHALDH1A1
SCHEMBL28024099 0.78 FAAH (0.63) HTR1ADRD2FAAHCHRM3DRD4
SCHEMBL20804353 0.78 FAAH (0.63) HTR1ADRD2FAAHCHRM3DRD4
SCHEMBL2918926 0.77 ALDH1A1 (0.49) PARP1TNK2TNK1DRD4JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231619-B1 INHIBITORS OF STEAROYL-COA DESATURASE HOFFMANN LA ROCHE (CH) 2014-11-26 EP claimed
CN-101896473-B Inhibitors of stearoyl-coa desaturase HOFFMANN LA ROCHE 2012-07-25 CN claimed
CN-101896473-A Inhibitors of stearoyl-coa desaturase HOFFMANN LA ROCHE 2010-11-24 CN claimed
EP-2231619-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. Hoffmann-La Roche AG (CH) 2010-09-29 EP claimed
WO-2009074487-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 WO claimed
EP-2231619-B1 INHIBITORS OF STEAROYL-COA DESATURASE HOFFMANN LA ROCHE (CH) 2014-11-26 EP disclosed
EP-2231619-B1 INHIBITORS OF STEAROYL-COA DESATURASE HOFFMANN LA ROCHE (CH) 2014-11-26 EP disclosed
CN-101896473-B Inhibitors of stearoyl-coa desaturase HOFFMANN LA ROCHE 2012-07-25 CN disclosed
CN-101896473-A Inhibitors of stearoyl-coa desaturase HOFFMANN LA ROCHE 2010-11-24 CN disclosed
EP-2231619-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
US-7652013-B2 Inhibitors of stearoyl-CoA desaturase HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
US-7652013-B2 Inhibitors of stearoyl-CoA desaturase HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
US-7652013-B2 Inhibitors of stearoyl-CoA desaturase HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
WO-2009074487-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 WO disclosed
WO-2009074487-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 WO disclosed
US-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE GILLESPIE PAUL 2009-06-11 US disclosed
US-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE GILLESPIE PAUL 2009-06-11 US disclosed
US-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE GILLESPIE PAUL 2009-06-11 US 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-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 HTR1A 3516/4885DRD2 4220/4885FAAH 191/4885

“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.