SCHEMBL3589752

SCHEMBL3589752

O=C1N(CCS(=O)(=O)N2CCOCC2)CC(c2cccc(Oc3cnccn3)c2)N1c1ccc(Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 2/20 0.32
CCR5 P51681 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
FAAH O00519 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL3589748 1.00 ALDH1A1 (0.34) ALDH1A1SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL3581275 0.93 SLC6A2 (0.35) ALDH1A1SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL3581269 0.93 SLC6A2 (0.35) ALDH1A1SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL3592456 0.92 SLC6A2 (0.36) ALDH1A1SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL3592458 0.92 SLC6A2 (0.36) ALDH1A1SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL3587487 0.91 SLC6A2 (0.34) ALDH1A1SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL3587492 0.91 SLC6A2 (0.34) ALDH1A1SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL3585633 0.88 ALDH1A1 (0.33) ALDH1A1L3MBTL1FAAHHRH4CNR1
SCHEMBL3585637 0.88 ALDH1A1 (0.33) ALDH1A1L3MBTL1FAAHHRH4CNR1
SCHEMBL3593565 0.87 SLC6A2 (0.37) ALDH1A1SLC6A2SLC6A4SLC6A3LMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US claimed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US claimed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US claimed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP claimed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO claimed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH ALDH1A1 2743/4885SLC6A2 3123/4885SLC6A4 2606/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH ALDH1A1 2743/4885SLC6A2 3123/4885SLC6A4 2606/4885

“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.