SCHEMBL5541012

SCHEMBL5541012

Clc1ccc(CCNc2cc[c]cc2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.50
CNR1 P21554 1/20 0.48
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
IDO1 P14902 3/20 0.42
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
PLAAT3 P53816 1/20 0.39
PLAAT5 Q96KN8 1/20 0.39
PLAAT2 Q9NWW9 1/20 0.39
PLAAT4 Q9UL19 1/20 0.39
HTT P42858 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
SCHEMBL5540569 0.91 CNR1 (0.43) GPR84CNR1ALDH1A1HPGDIDO1
SCHEMBL5537374 0.83 MAPT (0.49) CNR1ALDH1A1IDO1MAPK1CYP1A2
SCHEMBL5544074 0.80 TAAR1 (0.53) GPR84CNR1IDO1CYP1A2CYP3A4
SCHEMBL5539704 0.76 GPR84 (0.50) GPR84CNR1ALDH1A1IDO1CYP1A2
SCHEMBL28650574 0.75 TAAR1 (0.55) GPR84CNR1ALDH1A1HPGDIDO1
SCHEMBL19145072 0.75 ADRB2 (0.46) GPR84CNR1ALDH1A1MAPK1KMT2A
SCHEMBL5539661 0.75 CNR1 (0.43) GPR84CNR1ALDH1A1HPGDIDO1
SCHEMBL5536851 0.74 TAAR1 (0.47) GPR84ALDH1A1IDO1CYP1A2CYP3A4
SCHEMBL5541806 0.74 TAAR1 (0.56) GPR84CNR1ALDH1A1HPGDCYP1A2
Hydrochloric Acid SCHEMBL28654800 0.73 HTT (0.54) GPR84CNR1ALDH1A1HPGDIDO1

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
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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 (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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 GPR84 318/4885CNR1 857/4885ALDH1A1 355/4885

“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.