SCHEMBL2926987

SCHEMBL2926987

O=c1cc(N2CCN(Cc3cccc(Cl)c3)CC2)nc[nH]1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.55
MAPT P10636 2/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
DRD2 P14416 2/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
HTR1A P08908 1/20 0.45
ALDH3A1 P30838 1/20 0.45
ATM Q13315 1/20 0.45
RECQL P46063 1/20 0.45
FAAH O00519 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL2926168 0.86 SMN1; SMN2 (0.50) TSHRALDH1A1KDM4EDRD2DRD4
SCHEMBL2924655 0.86 ALDH1A1 (0.61) MAPTTSHRALDH1A1KDM4EDRD2
SCHEMBL2925554 0.86 ALDH1A1 (0.58) TSHRALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL2924810 0.84 SIGMAR1 (0.51) SIGMAR1HTR1ARECQLFAAH
SCHEMBL2925180 0.84 PIK3CD (0.44) SIGMAR1MAPTKDM4EDRD4RECQL
SCHEMBL2927769 0.83 KDM4E (0.50) ALDH1A1KDM4EDRD2DRD4DRD3
SCHEMBL13809921 0.83 DRD2 (0.41) TSHRALDH1A1KDM4EDRD2DRD4
SCHEMBL2926472 0.83 HTR1A (0.48) ALDH1A1DRD2DRD4HTR1AFAAH
SCHEMBL2918926 0.82 ALDH1A1 (0.49) SIGMAR1ALDH1A1KDM4EDRD4DRD3
SCHEMBL2925534 0.82 MEN1 (0.56) MAPTALDH1A1KDM4EFAAHMEN1

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 23 patents — showing the first 20. 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
EP-2231619-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. Hoffmann-La Roche AG (CH) 2010-09-29 EP claimed
US-7652013-B2 Inhibitors of stearoyl-CoA desaturase HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US claimed
WO-2009074487-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 WO claimed
US-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE GILLESPIE PAUL 2009-06-11 US claimed
US-9358250-B2 Methods of using SCD1 antagonists GENENTECH, INC. (US) 2016-06-07 US disclosed
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
EP-2766000-A2 SCD1 ANTAGONISTS FOR TREATING CANCER F.HOFFMANN-LA ROCHE AG (CH) 2014-08-20 EP disclosed
US-20130096181-A1 METHODS OF USING SCD1 ANTAGONISTS GENENTECH, INC. (US) 2013-04-18 US disclosed
WO-2013056148-A2 METHODS OF USING SCD1 ANTAGONISTS GENENTECH, INC. (US) 2013-04-18 WO disclosed
CN-101896473-B Inhibitors of stearoyl-coa desaturase HOFFMANN LA ROCHE 2012-07-25 CN 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 (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-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 SIGMAR1 2689/4885MAPT 3663/4885TSHR 3235/4885
US-20130096181-A1 METHODS OF USING SCD1 ANTAGONISTS SCD, SELPLG, SCD5 SIGMAR1 499/4885MAPT 4657/4885TSHR 1389/4885

“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.