SCHEMBL2920503

SCHEMBL2920503

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
GFER P55789 1/20 0.52
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
THRB P10828 1/20 0.48
FAAH O00519 1/20 0.46
DRD2 P14416 2/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
BACE1 P56817 1/20 0.38
ACHE P22303 1/20 0.36

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
SCHEMBL2924987 0.86 LMNA (0.55) TSHRALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL2926406 0.86 CA1 (0.40) TSHRALDH1A1DRD2DRD4DRD3
SCHEMBL2925048 0.86 TSHR (0.39) TSHRGFERALDH1A1THRBDRD2
SCHEMBL2926479 0.86 TSHR (0.39) TSHRGFERALDH1A1POLBSMN1; SMN2
SCHEMBL2924254 0.86 TSHR (0.42) TSHRALDH1A1KDM4ESMN1; SMN2DRD2
SCHEMBL2925620 0.85 MPO (0.54) TSHRALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL2924092 0.84 OPRM1 (0.44) POLB
SCHEMBL2916148 0.84 GFER (0.53) TSHRGFERALDH1A1KDM4ESMN1; SMN2
SCHEMBL2926813 0.84 KDM4E (0.55) TSHRALDH1A1KDM4ELMNAKMT2A
SCHEMBL2920552 0.83 CTSB (0.56) ALDH1A1KDM4ESMN1; SMN2LMNAACHE

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 TSHR 3235/4885GFER 853/4885ALDH1A1 503/4885
US-20130096181-A1 METHODS OF USING SCD1 ANTAGONISTS SCD, SELPLG, SCD5 TSHR 1389/4885GFER 2917/4885ALDH1A1 414/4885

“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.