SCHEMBL3596254

SCHEMBL3596254

COc1cccc([C@H]2[C@H](CN3CCOCC3)OC(=O)N2c2ccc(Oc3ccc(Cl)cc3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.46
MDM2 Q00987 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
DRD4 P21917 3/20 0.38
DRD2 P14416 3/20 0.38
HSD11B1 P28845 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.37
SLC2A1 P11166 1/20 0.37
POLB P06746 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL3596801 0.91 DRD4 (0.40) MAPTKDM4EDRD4DRD2HSD11B1
SCHEMBL3592459 0.89 KMT2A (0.38) KMT2ALMNAMDM2MAPTKDM4E
SCHEMBL15182313 0.88 CHRNA7 (0.48) MAPTKDM4EDRD2HSD11B1SIGMAR1
SCHEMBL3593844 0.86 LMNA (0.37) KMT2ALMNAMDM2MAPTDRD2
SCHEMBL3593362 0.86 KDM4E (0.39) KMT2ALMNAMDM2MAPTKDM4E
SCHEMBL3588686 0.85 KDM4E (0.46) KMT2AMAPTKDM4ENPC1RAB9A
SCHEMBL3601518 0.84 HSD11B1 (0.43) KMT2ACNR1CNR2MAPTKDM4E
SCHEMBL3594104 0.84 ALDH1A1 (0.39) MAPTKDM4EDRD4DRD2HSD11B1
SCHEMBL3589517 0.84 SLC2A1 (0.40) KMT2ALMNAMDM2CNR1CNR2
SCHEMBL3589624 0.84 LMNA (0.38) KMT2ALMNAMDM2MAPTKDM4E

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 13 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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
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-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-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
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 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 KMT2A 2711/4885LMNA 2549/4885MDM2 4496/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH KMT2A 2711/4885LMNA 2549/4885MDM2 4496/4885

“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.