SCHEMBL3722648

SCHEMBL3722648

CCCCCc1ncon1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
CHRM2 P08172 3/20 0.33
CHRM5 P08912 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33
CHRM4 P08173 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
PTGS2 P35354 4/20 0.32
CYP3A4 P08684 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ESR1 P03372 2/20 0.31
ADRA2A P08913 2/20 0.31
ADORA3 P0DMS8 2/20 0.31

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
SCHEMBL21770795 0.98 KCNH2 (0.38) KCNH2GPR84CHRM2CHRM5CHRM1
SCHEMBL7082422 0.94
SCHEMBL989895 0.87 CES1 (0.38) L3MBTL1CES1
SCHEMBL18462195 0.77 HTR1A (0.38) KCNH2CHRM2CHRM1ADRA2ASLC6A2
SCHEMBL2095540 0.72 CHRM2 (0.37) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL20969048 0.71 TLR7 (0.33) TLR7ALDH1A1
SCHEMBL18462051 0.71 CES1 (0.51) TDP1L3MBTL1SLC6A3ALDH1A1HTR2C
SCHEMBL15407620 0.69 PSEN1 (0.31) L3MBTL1
SCHEMBL87389 0.69 NAAA (0.47) KCNH2GPR84PTGS2CYP3A4TDP1
SCHEMBL15225261 0.67 NAAA (0.50) KCNH2GPR84CYP3A4TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US claimed
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-12-16 US claimed
EP-2234961-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-10-06 EP claimed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 WO claimed
EP-4192821-A1 ALPHA,BETA UNSATURATED METHACRYLIC ESTERS WITH ANTI-INFLAMMATORY PROPERTIES Sitryx Therapeutics Limited (GB) 2023-06-14 EP disclosed
EP-4186899-A1 O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLYCOPYRANOSIDASE INHIBITORS Biogen MA Inc. (US) 2023-05-31 EP disclosed
CN-110372626-B Method for preparing 1,2, 4-oxadiazole compound 河南大学 2022-11-08 CN disclosed
CN-104892591-A Preparation method of pyrazole oxime compound containing 3-aryl-1,2,4-oxdiazole heterocycle structure and application thereof UNIV NANTONG 2015-09-09 CN disclosed
CN-104892591-A Preparation method of pyrazole oxime compound containing 3-aryl-1,2,4-oxdiazole heterocycle structure and application thereof UNIV NANTONG 2015-09-09 CN disclosed
EP-2903984-A1 BICYCLIC 1, 2, 4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2015-08-12 EP disclosed
US-8957051-B2 Bicyclic 1, 2, 4-oxadiazoles derivatives as sphingosine-1 phosphate receptors modulators ALLERGAN, INC. (US) 2015-02-17 US disclosed
US-20140274963-A1 SUBSTITUTED ARYL 1 ,2,4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2014-09-18 US disclosed
US-20140100199-A1 SUBSTITUTED ARYL 1 ,2,4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2014-04-10 US disclosed
US-20140100199-A1 SUBSTITUTED ARYL 1 ,2,4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2014-04-10 US disclosed
US-20140100197-A1 BICYCLIC 1, 2, 4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2014-04-10 US disclosed
WO-2014055916-A1 SUBSTITUTED ARYL-1,2,4-OXADIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF INTERALIA OCULAR OR INFLAMMATORY DISEASES ALLERGAN, INC. (US) 2014-04-10 WO disclosed
EP-2155718-A2 ARYLOXAZOLE, ARYLOXADIAZOLE AND BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. Hoffmann-Roche AG (CH) 2010-02-24 EP disclosed
WO-2008148710-A2 ARYLOXAZOLE, ARYLOXADIAZOLE AND BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF SOMATOSTATINS RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2008-12-11 WO disclosed
US-20080306116-A1 ARYLOXAZOLE, ARYLOXADIAZOLE AND BENZIMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-12-11 US disclosed
EP-0061882-A1 Process for preparing isoxazol-3-ylcarboxamides ELI LILLY AND COMPANY (US) 1982-10-06 EP 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-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES ARNT, AHR, CYP27A1 KCNH2 2861/4885GPR84 258/4885CHRM2 1777/4885
US-20140274963-A1 SUBSTITUTED ARYL 1 ,2,4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS S1PR3, S1PR1, S1PR4 KCNH2 3189/4885GPR84 76/4885CHRM2 1730/4885
US-20140100199-A1 SUBSTITUTED ARYL 1 ,2,4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS S1PR3, S1PR1, S1PR4 KCNH2 3189/4885GPR84 76/4885CHRM2 1730/4885
US-20140100197-A1 BICYCLIC 1, 2, 4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS S1PR3, S1PR1, S1PR2 KCNH2 2978/4885GPR84 76/4885CHRM2 1406/4885
US-20080306116-A1 ARYLOXAZOLE, ARYLOXADIAZOLE AND BENZIMIDAZOLE DERIVATIVES SSTR5, NPY5R, SSTR3 KCNH2 2416/4885GPR84 63/4885CHRM2 536/4885

“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.