SCHEMBL3587767

SCHEMBL3587767

O=C1O[C@@H](CN2CCC(O)(c3ccc(Cl)cc3)CC2)[C@H](c2cc(F)cc(F)c2)N1c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.48
DRD2 P14416 11/20 0.47
OPRM1 P35372 2/20 0.45
OPRL1 P41146 1/20 0.45
HTR1A P08908 2/20 0.41
DRD1 P21728 2/20 0.41
DRD5 P21918 2/20 0.41
SLC6A2 P23975 2/20 0.41
HTR2A P28223 2/20 0.41
SLC6A4 P31645 2/20 0.41
HTR7 P34969 2/20 0.41
HRH1 P35367 2/20 0.41
DRD3 P35462 2/20 0.41
HTR2B P41595 2/20 0.41
MEN1 O00255 1/20 0.41
CACNA1F O60840 1/20 0.41
KCNK2 O95069 1/20 0.41
ABCB11 O95342 1/20 0.41
CYP1A2 P05177 1/20 0.41
ADRB2 P07550 1/20 0.41

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
SCHEMBL3591640 0.95 SIGMAR1 (0.44) SIGMAR1DRD2TMEM97
SCHEMBL3599941 0.84 MAPT (0.39) DRD2CYP1A2DRD4CYP2C19KMT2A
SCHEMBL3589823 0.82 CNR1 (0.42) SIGMAR1
SCHEMBL3589136 0.80 SLC6A2 (0.36) DRD2HTR1ADRD1SLC6A2HTR2A
SCHEMBL3583528 0.80 MEN1 (0.44) DRD2HTR1AHTR2ADRD3MEN1
SCHEMBL3591483 0.79 KMT2A (0.43) SIGMAR1DRD2HTR1AHTR2AHTR7
SCHEMBL3589624 0.79 LMNA (0.38) SIGMAR1DRD2DRD4KMT2A
SCHEMBL3596826 0.79 DRD2 (0.44) DRD2HRH1MEN1CYP1A2CYP2D6
SCHEMBL15182326 0.79 LMNA (0.34) SIGMAR1DRD2DRD3CYP2D6CYP2C19
SCHEMBL3598509 0.79 HRH3 (0.36) SIGMAR1DRD2HTR1ADRD1DRD5

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 15 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
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-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 SIGMAR1 408/4885DRD2 889/4885OPRM1 18/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH SIGMAR1 408/4885DRD2 889/4885OPRM1 18/4885

“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.