SCHEMBL2925157

SCHEMBL2925157

Cc1c(Br)cccc1CN1CCN(c2cc(=O)[nH]cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 4/20 0.40
ALDH1A1 P00352 2/20 0.37
GPR84 Q9NQS5 1/20 0.36
KDM4A O75164 1/20 0.36
KDM4B O94953 1/20 0.36
KDM5C P41229 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
KCNH2 Q12809 4/20 0.35
EGLN2 Q96KS0 4/20 0.35
EGLN1 Q9GZT9 4/20 0.35
EGLN3 Q9H6Z9 4/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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 0.89 CYP2A13 (0.45) TRPC5ALDH1A1GPR84KDM4AKDM4B
SCHEMBL13812762 0.87 MEN1 (0.41) TRPC5ALDH1A1GPR84KDM4AKDM4B
SCHEMBL2927242 0.87 KDM4E (0.41) TRPC5ALDH1A1GPR84KDM4AKDM4B
SCHEMBL2923111 0.84 TRPC5 (0.51) TRPC5ALDH1A1KMT2AMEN1KCNH2
SCHEMBL2919806 0.82 HTT (0.49) TRPC5KMT2AMEN1TSHRHTT
SCHEMBL2916247 0.80 EGLN2 (0.42) TRPC5ALDH1A1KDM4AKDM4BKDM5C
SCHEMBL2926561 0.80 KDM4E (0.49) ALDH1A1HTTKDM4E
SCHEMBL2925620 0.79 MPO (0.54) TRPC5ALDH1A1GPR84KDM4AKDM4B
SCHEMBL2919044 0.79 MEN1 (0.58) ALDH1A1KMT2AMEN1TSHRKDM4E
SCHEMBL2926769 0.79 TRPC5 (0.43) TRPC5ALDH1A1KDM4AKDM4BKDM5C

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
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
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
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

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 TRPC5 4064/4885ALDH1A1 503/4885GPR84 1694/4885

“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.