SCHEMBL2802032

SCHEMBL2802032

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.47
PDE4A P27815 5/20 0.47
PDE4C Q08493 5/20 0.47
PDE4D Q08499 5/20 0.47
NOTUM Q6P988 1/20 0.43
CNR2 P34972 1/20 0.42
MAPT P10636 1/20 0.42
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL1871388 0.89 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DNOTUM
SCHEMBL23825806 0.88 RBP4 (0.41) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL28033753 0.87 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL29366131 0.87 HTR4 (0.40) PDE4BPDE4APDE4CPDE4DNOTUM
SCHEMBL4510982 0.86 PTGER4 (0.48) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL15541722 0.86 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL4278555 0.84 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL29790148 0.84 NOTUM (0.50) PDE4BPDE4APDE4CPDE4DNOTUM
SCHEMBL15650723 0.84 CA12 (0.53) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL2090601 0.84 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DMAPT

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 17 patents. 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
CN-108349901-A PHENYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS 豪夫迈·罗氏有限公司 2018-07-31 CN disclosed
WO-2017097732-A1 PHENYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-15 WO disclosed
WO-2017097732-A1 PHENYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-15 WO disclosed
WO-2010132016-A1 BIS-(SULFONYLAMINO) DERIVATIVES FOR TREATMENT OF PAIN AND INFLAMMATION ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
WO-2010132016-A1 BIS-(SULFONYLAMINO) DERIVATIVES FOR TREATMENT OF PAIN AND INFLAMMATION ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
US-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy ASTRAZENECA AB (SE) 2010-11-18 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 (4 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 PDE4B 704/4885PDE4A 719/4885PDE4C 1070/4885
US-20180290966-A1 PHENYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS CNR2, CNR1, GPR18 PDE4B 704/4885PDE4A 719/4885PDE4C 1070/4885
US-11339120-B2 Phenyl derivatives as cannabinoid receptor 2 agonists CNR2, CNR1, GPR18 PDE4B 704/4885PDE4A 719/4885PDE4C 1070/4885
US-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy PTGER1, SULT2A1, SULT1E1 PDE4B 1521/4885PDE4A 1098/4885PDE4C 2223/4885

“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.