SCHEMBL2094853

SCHEMBL2094853

[CH2]C1CCN(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.58
MAPT P10636 8/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
LMNA P02545 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
ALOX12 P18054 1/20 0.56
NOTUM Q6P988 1/20 0.54
DPP4 P27487 1/20 0.47
HTT P42858 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HIF1A Q16665 1/20 0.44
MAPK1 P28482 1/20 0.44
DRD2 P14416 3/20 0.43
DRD4 P21917 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TP53 P04637 2/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL6694923 0.81 NOTUM (0.58) ADRB1MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL4169509 0.81 MAPT (0.61) ADRB1MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL23484656 0.81 ADRB1 (0.58) ADRB1MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL2056318 0.81 ADRB1 (0.58) ADRB1MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL22721006 0.81 ADRB1 (0.62) ADRB1MAPTSMN1; SMN2LMNAL3MBTL1
Hydrochloric Acid SCHEMBL4170680 0.80 MAPT (0.59) ADRB1MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL22728527 0.80 NOTUM (0.52) ADRB1MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL2092705 0.79 HTR3E (0.53) ADRB1MAPTSMN1; SMN2LMNAL3MBTL1
Hydrochloric Acid SCHEMBL22721140 0.78 NOTUM (0.51) ADRB1MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL9830834 0.78 ADRB1 (0.68) ADRB1MAPTSMN1; SMN2LMNAL3MBTL1

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 6 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
US-20090124663-A1 Novel n-phenyl-piperidine derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2009-05-14 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 (2 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-20090124663-A1 Novel n-phenyl-piperidine derivatives and their use as monoamine neurotransmitter re-uptake inhibitors SLC18A2, SLC6A2, SLC18A3 ADRB1 85/4885MAPT 423/4885SMN1; SMN2 1786/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 ADRB1 189/4885MAPT 4299/4885SMN1; SMN2 3787/4885

“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.