SCHEMBL2925889

SCHEMBL2925889

O=c1cc(N2CCN(Cc3cc(OC(F)(F)F)ccc3O)CC2)nc[nH]1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
EPHX2 P34913 2/20 0.38
SCN9A Q15858 2/20 0.38
ABL1 P00519 3/20 0.35
TACR1 P25103 3/20 0.35
MGLL Q99685 2/20 0.35
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
AKT1 P31749 1/20 0.35
LMNA P02545 1/20 0.35
OPRM1 P35372 1/20 0.35

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
SCHEMBL2926406 0.83 CA1 (0.40) TSHRALDH1A1AKT1LMNA
SCHEMBL2925048 0.81 TSHR (0.39) TSHRALDH1A1LMNA
SCHEMBL2924987 0.81 LMNA (0.55) TSHRALDH1A1LMNA
SCHEMBL2924254 0.81 TSHR (0.42) EPHX2TSHRALDH1A1LMNA
SCHEMBL2920503 0.81 TSHR (0.55) TSHRALDH1A1LMNA
SCHEMBL2925620 0.80 MPO (0.54) TSHRALDH1A1LMNA
SCHEMBL2920552 0.78 CTSB (0.56) ALDH1A1LMNA
SCHEMBL2919533 0.75 ALDH1A1 (0.51) TSHRALDH1A1
SCHEMBL2924574 0.74 POLB (0.43) TSHRALDH1A1AKT1LMNA
SCHEMBL2920168 0.73 KDM4E (0.40) MAOALMNA

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 25 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
US-9358250-B2 Methods of using SCD1 antagonists GENENTECH, INC. (US) 2016-06-07 US disclosed
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
WO-2013056148-A2 METHODS OF USING SCD1 ANTAGONISTS GENENTECH, INC. (US) 2013-04-18 WO 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 MAOA 1506/4885EPHX2 1260/4885SCN9A 2258/4885

“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.