SCHEMBL2091908

SCHEMBL2091908

Cc1ccc(CN2CCC[N]CC2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
HRH3 Q9Y5N1 3/20 0.43
PDE2A O00408 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PRMT6 Q96LA8 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
NCF1 P14598 1/20 0.39
MCHR1 Q99705 1/20 0.39
DRD4 P21917 3/20 0.39
DRD2 P14416 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
SCHEMBL2097130 0.94 FAAH (0.48) FAAHHRH3PDE2AALDH1A1SMN1; SMN2
SCHEMBL15132866 0.85 HRH3 (0.59) FAAHHRH3ALDH1A1SMN1; SMN2PRMT6
SCHEMBL23430815 0.83 HRH3 (0.63) FAAHHRH3ALDH1A1SMN1; SMN2POLB
SCHEMBL2092380 0.82 ALDH1A1 (0.56) HRH3ALDH1A1POLBHRH4NCF1
SCHEMBL2088589 0.79 HRH3 (0.52) HRH3ALDH1A1HRH4NCF1
SCHEMBL2094810 0.78 POLB (0.71) HRH3ALDH1A1SMN1; SMN2POLB
SCHEMBL2094772 0.78 KMT2A (0.50) ALDH1A1
SCHEMBL2088672 0.77 ALDH1A1 (0.67) HRH3ALDH1A1SMN1; SMN2POLBHRH4
SCHEMBL2095383 0.76 ALDH1A1 (0.54) HRH3ALDH1A1SMN1; SMN2HRH4
SCHEMBL2094575 0.76 HRH3 (0.52) HRH3ALDH1A1HTTHRH4MCHR1

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 5 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
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO 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 FAAH 3448/4885HRH3 538/4885PDE2A 3649/4885

“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.