SCHEMBL4510982

SCHEMBL4510982

CCOC(=O)c1ccc(Br)c(OCC2CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.48
HSD17B2 P37059 1/20 0.48
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
PDE4B Q07343 5/20 0.45
ALOX15 P16050 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
CNR2 P34972 1/20 0.43
HTR4 Q13639 3/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 2/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL2802032 0.86 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL6395767 0.85 HSD17B2 (0.63) PTGER4HSD17B2CA12CA1CA2
SCHEMBL3654864 0.84 HSD17B2 (0.56) HSD17B2CA12CA1CA2CA7
SCHEMBL20188600 0.84 PTGER4 (0.48) PTGER4HSD17B2CA12CA1CA2
SCHEMBL15541722 0.83 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL13763364 0.83 PTGER4 (0.47) PTGER4HSD17B2CA12CA1CA2
SCHEMBL29790145 0.83 PTGER4 (0.47) PTGER4HSD17B2CA12CA1CA2
SCHEMBL2804683 0.82 DPP4 (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL28754020 0.81 HSD17B2 (0.50) PTGER4HSD17B2CA12CA1CA2
SCHEMBL23304712 0.80 TSHR (0.56) HSD17B2CA12CA1CA2CA7

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116102449-A Phenyl derivatives as cannabinoid receptor 2 agonists 豪夫迈·罗氏有限公司 2023-05-12 CN disclosed
CN-108349901-B Phenyl derivatives as cannabinoid receptor 2 agonists 豪夫迈·罗氏有限公司 2022-08-16 CN disclosed
US-11339120-B2 Phenyl derivatives as cannabinoid receptor 2 agonists HOFFMANN-LA ROCHE INC. (US) 2022-05-24 US disclosed
US-11339120-B2 Phenyl derivatives as cannabinoid receptor 2 agonists HOFFMANN-LA ROCHE INC. (US) 2022-05-24 US disclosed
US-20210171441-A1 PHENYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS HOFFMANN-LA ROCHE INC. (US) 2021-06-10 US disclosed
US-20210171441-A1 PHENYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS HOFFMANN-LA ROCHE INC. (US) 2021-06-10 US disclosed
EP-3386951-B1 PHENYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS HOFFMANN LA ROCHE (CH) 2020-02-26 EP disclosed
EP-3386951-A1 PHENYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS H. Hoffnabb-La Roche Ag (CH) 2018-10-17 EP disclosed
US-20180290966-A1 PHENYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS HOFFMANN-LA ROCHE INC. (US) 2018-10-11 US disclosed
WO-2017097732-A1 PHENYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-15 WO disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
CN-101171015-A Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS INC (US) 2008-04-30 CN disclosed
EP-1853269-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2007-11-14 EP disclosed
WO-2006093832-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2006-09-08 WO disclosed
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-08-31 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 (5 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-20210171441-A1 PHENYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS CNR2, CNR1, GPR18 PTGER4 143/4885HSD17B2 2245/4885CA12 4605/4885
US-20180290966-A1 PHENYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS CNR2, CNR1, GPR18 PTGER4 143/4885HSD17B2 2245/4885CA12 4605/4885
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 PTGER4 204/4885HSD17B2 4299/4885CA12 4054/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 PTGER4 204/4885HSD17B2 4299/4885CA12 4054/4885
US-11339120-B2 Phenyl derivatives as cannabinoid receptor 2 agonists CNR2, CNR1, GPR18 PTGER4 143/4885HSD17B2 2245/4885CA12 4605/4885

“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.