SCHEMBL2089529

SCHEMBL2089529

[CH2]CCCCN1CCN(c2ccccc2F)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.58
DRD2 P14416 8/20 0.57
DRD3 P35462 4/20 0.57
ADRA1A P35348 3/20 0.57
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
TSHR P16473 1/20 0.56
HTR2A P28223 4/20 0.54
HTR1A P08908 3/20 0.54
HTR7 P34969 3/20 0.54
HTR6 P50406 3/20 0.54
HRH1 P35367 1/20 0.54
LMNA P02545 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TDP1 Q9NUW8 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CACNA1G O43497 1/20 0.51

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
SCHEMBL2095742 0.98 SIGMAR1 (0.56) SIGMAR1DRD2DRD3ADRA1AKDM4E
SCHEMBL2095200 0.95 SIGMAR1 (0.59) SIGMAR1DRD2DRD3ADRA1AKDM4E
SCHEMBL2092194 0.89 ALDH1A1 (0.61) SIGMAR1DRD2DRD3ADRA1AKDM4E
SCHEMBL946834 0.86 SIGMAR1 (0.59) SIGMAR1DRD2DRD3ADRA1AKDM4E
Hydrochloric Acid SCHEMBL3196048 0.84 SIGMAR1 (0.58) SIGMAR1DRD2DRD3ADRA1AKDM4E
SCHEMBL8828353 0.84 CYP2D6 (0.63) SIGMAR1DRD2DRD3ADRA1AKDM4E
SCHEMBL2089719 0.83 DRD2 (0.62) SIGMAR1DRD2DRD3ADRA1AKDM4E
SCHEMBL9154799 0.83 SIGMAR1 (0.59) SIGMAR1DRD2DRD3ADRA1AKDM4E
SCHEMBL11163280 0.83 SIGMAR1 (0.59) SIGMAR1DRD2DRD3ADRA1AKDM4E
SCHEMBL2097587 0.82 KDM4E (0.65) DRD3KDM4EALDH1A1POLBTSHR

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 SIGMAR1 161/4885DRD2 409/4885DRD3 441/4885

“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.