SCHEMBL3594069

SCHEMBL3594069

O=C1CCC(c2cccc(OCCO)c2)N1c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.37
HTR7 P34969 3/20 0.37
TNKS O95271 3/20 0.36
CA1 P00915 6/20 0.35
CA2 P00918 6/20 0.35
CA9 Q16790 2/20 0.35
CA4 P22748 4/20 0.35
CA7 P43166 4/20 0.35
CA12 O43570 1/20 0.35
MDM2 Q00987 2/20 0.35
TP53 P04637 1/20 0.35
CTSG P08311 1/20 0.34
CMA1 P23946 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 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
SCHEMBL3594064 1.00 HTR1A (0.37) HTR1AHTR7TNKSCA1CA2
SCHEMBL3597596 0.93 TNKS (0.39) TNKSMDM2TP53KMT2ADRD2
SCHEMBL3597595 0.93 TNKS (0.39) TNKSMDM2TP53KMT2ADRD2
SCHEMBL3587626 0.89 PPARG (0.39) TNKSMDM2TP53CTSGCMA1
SCHEMBL3587623 0.89 PPARG (0.39) TNKSMDM2TP53CTSGCMA1
SCHEMBL3589437 0.85 ALDH1A1 (0.42) CA1CA2CA4CA7KMT2A
SCHEMBL3589435 0.85 ALDH1A1 (0.42) CA1CA2CA4CA7KMT2A
SCHEMBL3583745 0.78 TNKS (0.37) TNKSMDM2TP53
SCHEMBL3583740 0.78 TNKS (0.37) TNKSMDM2TP53
SCHEMBL3592019 0.77 HDAC1 (0.42) HTR7CA1CA2CA9KMT2A

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 7 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-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US 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
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO 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 HTR1A 59/4885HTR7 243/4885TNKS 932/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH HTR1A 59/4885HTR7 243/4885TNKS 932/4885

“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.