SCHEMBL2095702

SCHEMBL2095702

[CH2]CCCCOCCCCc1ccc2ccoc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.47
CHRM1 P11229 2/20 0.47
CHRM3 P20309 2/20 0.47
HTR1B P28222 4/20 0.40
MRGPRX4 Q96LA9 1/20 0.36
SLC6A4 P31645 2/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
DRD4 P21917 1/20 0.34
KCNA3 P22001 2/20 0.33
KCNA5 P22460 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
NFKB1 P19838 2/20 0.33
CYP2C19 P33261 2/20 0.33
HSD17B10 Q99714 2/20 0.33

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
SCHEMBL2090147 0.86 CHRM2 (0.55) CHRM2CHRM1CHRM3HTR1BMRGPRX4
SCHEMBL2096297 0.84 CHRM2 (0.50) CHRM2CHRM1CHRM3HTR1BMRGPRX4
SCHEMBL5540644 0.77 CHRM2 (0.50) CHRM2CHRM1CHRM3HTR1BMRGPRX4
SCHEMBL2097208 0.75 CHRM2 (0.57) CHRM2CHRM1CHRM3HTR1BMRGPRX4
SCHEMBL2092017 0.75 HDAC1 (0.48) SLC6A4KDM4ECYP1A2MAPK1CYP2A6
SCHEMBL3797578 0.73 CHRM2 (0.58) CHRM2CHRM1CHRM3HTR1BMAPK1
SCHEMBL8040625 0.72 HTR1B (0.53) CHRM2CHRM1CHRM3HTR1BMRGPRX4
SCHEMBL9113881 0.71 CHRM2 (0.52) CHRM2CHRM1CHRM3HTR1BMRGPRX4
SCHEMBL25240905 0.70 CHRM2 (0.62) CHRM2CHRM1CHRM3HTR1BMRGPRX4
SCHEMBL14756115 0.70 CHRM2 (0.53) CHRM2CHRM1CHRM3HTR1BHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 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 (1 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 CHRM2 776/4885CHRM1 575/4885CHRM3 1184/4885

“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.