SCHEMBL2925620

SCHEMBL2925620

O=c1cc(N2CCN(Cc3ccccc3O)CC2)nc[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.54
KDM4E B2RXH2 4/20 0.43
FAAH O00519 1/20 0.43
DRD2 P14416 1/20 0.42
KDM4A O75164 1/20 0.41
KDM4B O94953 1/20 0.41
KDM5C P41229 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
LMNA P02545 4/20 0.41
TSHR P16473 4/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
BACE1 P56817 1/20 0.40
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
MAPT P10636 2/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL2927721 0.85 CYP2A13 (0.45) KDM4EFAAHKDM4AKDM4BKDM5C
SCHEMBL2923111 0.85 TRPC5 (0.51) KDM4ELMNARAB9AKMT2ASMN1; SMN2
SCHEMBL2924987 0.85 LMNA (0.55) KDM4EDRD2LMNATSHRHPGD
SCHEMBL2926406 0.85 CA1 (0.40) DRD2LMNATSHRHPGDALOX15
SCHEMBL2920503 0.85 TSHR (0.55) KDM4EFAAHDRD2LMNATSHR
SCHEMBL2925048 0.85 TSHR (0.39) MPODRD2KDM4AKDM4BKDM5C
SCHEMBL2924254 0.85 TSHR (0.42) KDM4EDRD2LMNATSHRHPGD
SCHEMBL2924574 0.84 POLB (0.43) KDM4EKDM4AKDM4BKDM5CKDM5B
SCHEMBL2919806 0.84 HTT (0.49) LMNATSHRHTTMAPTKMT2A
SCHEMBL2924975 0.84 KDM4E (0.43) KDM4EDRD2LMNAHTTMAPT

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 17 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
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 MPO 3379/4885KDM4E 856/4885FAAH 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.