SCHEMBL705085

SCHEMBL705085

O=C1COc2c(F)cc(F)cc2N1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 13/20 0.50
PGR P06401 7/20 0.50
NR3C1 P04150 4/20 0.50
MMP12 P39900 1/20 0.40
ADRB2 P07550 3/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL21552373 0.83 PGR (0.45) NR3C2PGRNR3C1MMP12PDE3B
SCHEMBL4678142 0.83 PDE3B (0.41) NR3C2PGRNR3C1MMP12ADRB2
SCHEMBL12116980 0.83 PDE3B (0.53) NR3C2PGRNR3C1MMP12PDE3B
SCHEMBL29939223 0.83 NR3C2 (0.45) NR3C2PGRNR3C1MMP12ADRB2
SCHEMBL19629960 0.83 NR3C2 (0.45) NR3C2PGRNR3C1MMP12ADRB2
SCHEMBL8202873 0.83 NR3C2 (0.45) NR3C2PGRNR3C1MMP12ADRB2
SCHEMBL4102483 0.83 NR3C2 (0.45) NR3C2PGRNR3C1MMP12ADRB2
SCHEMBL21372202 0.83 NR3C2 (0.48) NR3C2PGRNR3C1MMP12PDE3B
SCHEMBL3276712 0.80 NR3C2 (0.44) NR3C2PGRNR3C1MMP12ADRB2
SCHEMBL29952529 0.80 NR3C2 (0.44) NR3C2PGRNR3C1MMP12ADRB2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113912601-B Novel imidazo [1,2-a ] pyridine derivatives, preparation method and medical application thereof 上海拓界生物医药科技有限公司 2023-06-06 CN disclosed
WO-2022117062-A1 FUSED TRICYCLIC RING-CONTAINING COMPOUNDS AND PHARMACEUTICAL USE THEREOF 上海拓界生物医药科技有限公司 2022-06-09 WO disclosed
CN-113912601-A Novel imidazo [1,2-a ] pyridine derivatives, preparation method and medical application thereof 上海拓界生物医药科技有限公司 2022-01-11 CN disclosed
EP-3080115-B1 FUSED IMIDAZOLE AND PYRAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-05-08 EP disclosed
US-9868749-B2 Fused imidazole and pyrazole derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2018-01-16 US disclosed
US-9522906-B2 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS, INC. (US) 2016-12-20 US disclosed
US-20160297837-A1 Fused Imidazole and Pyrazole Derivatives As Modulators of TNF Activity EVOTEC (UK) LTD. (GB) 2016-10-13 US disclosed
US-20140221364-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS, INC. (US) 2014-08-07 US disclosed
US-8680115-B2 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS, INC. (US) 2014-03-25 US disclosed
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-05-03 US disclosed
US-8124602-B2 Compounds for the treatment of multi-drug resistant bacterial infections ASTRAZENECA AB (SE) 2012-02-28 US disclosed
US-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2011-04-21 US disclosed
EP-2289890-A1 Compounds for the treatment of multi-drug resistant bacterial infections AstraZeneca AB (SE) 2011-03-02 EP disclosed
US-7875715-B2 6-[({1-[2-(7-methoxy-2-oxoquinoxalin-1(2H)-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one; antibacteria; methicillin-resistant Staphylococcus aureus (MRSA), methicillin-resistant coagulase-negative staphylococci (MRCNS), penicillin-resistant Streptococcus pneumoniae ASTRAZENECA AB (SE) 2011-01-25 US disclosed
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 US disclosed
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS, INC. (US) 2009-09-24 US disclosed
US-7550459-B2 Neurodegenerative diseases, psychological disorders; e.g. 4-[3-(3a -Cyclopropylmethoxy-8-azabicyclo[3.2.1]oct-8-yl)-2-methylpropyl]-4H-benzo[1.4]oxazin-3-one ACADIA PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
EP-1893599-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006134378-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2006-12-21 WO disclosed
US-20050209226-A1 Neurodegenerative diseases, psychological disorders; e.g. 4-[3-(3a -Cyclopropylmethoxy-8-azabicyclo[3.2.1]oct-8-yl)-2-methylpropyl]-4H-benzo[1.4]oxazin-3-one ACADIA PHARMACEUTICALS INC. 2005-09-22 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 (7 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-20050209226-A1 Neurodegenerative diseases, psychological disorders; e.g. 4-[3-(3a -Cyclopropylmethoxy-8-azabicyclo[3.2.1]oct-8-yl)-2-methylpropyl]-4H-benzo[1.4]oxazin-3-one CHRNA4, CHRNA2, CHRNA5 NR3C2 234/4885PGR 775/4885NR3C1 112/4885
US-20140221364-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 NR3C2 329/4885PGR 1079/4885NR3C1 634/4885
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 NR3C2 329/4885PGR 1079/4885NR3C1 634/4885
US-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK NR3C2 4799/4885PGR 4681/4885NR3C1 4806/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK NR3C2 4799/4885PGR 4681/4885NR3C1 4806/4885
US-20160297837-A1 Fused Imidazole and Pyrazole Derivatives As Modulators of TNF Activity TNF, TNFRSF1A, TNFRSF9 NR3C2 3850/4885PGR 2380/4885NR3C1 1504/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK NR3C2 4799/4885PGR 4681/4885NR3C1 4806/4885

“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.