SCHEMBL5540575

SCHEMBL5540575

Cc1cccc(N2CCNC2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.80
HTR7 P34969 4/20 0.50
HTR1A P08908 4/20 0.50
HTR3A P46098 4/20 0.50
HTR3E A5X5Y0 3/20 0.50
HTR3B O95264 3/20 0.50
HTR3D Q70Z44 3/20 0.50
HTR3C Q8WXA8 3/20 0.50
SIGMAR1 Q99720 3/20 0.50
HTR2C P28335 2/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
THRB P10828 1/20 0.50
CYP2C9 P11712 1/20 0.50
HTR2A P28223 1/20 0.50
SLC6A4 P31645 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTR2B P41595 1/20 0.50

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
SCHEMBL25078445 0.90 ADRB1 (0.65) ADRB1HTR7HTR1AHTR3AHTR3E
SCHEMBL29391951 0.89 ADRB1 (1.00) ADRB1HTR7HTR1AHTR3AHTR3E
SCHEMBL81365 0.89 ADRB1 (1.00) ADRB1HTR7HTR1AHTR3AHTR3E
Hydrochloric Acid SCHEMBL6965723 0.87 ADRB1 (0.96) ADRB1HTR7HTR1AHTR3AHTR3E
Hydrochloric Acid SCHEMBL314399 0.87 ADRB1 (0.96) ADRB1HTR7HTR1AHTR3AHTR3E
SCHEMBL234093 0.83 ADRB1 (0.87) ADRB1HTR7HTR1AHTR3AHTR3E
Bicarbonate SCHEMBL11624933 0.81 ADRB1 (0.84) ADRB1HTR7HTR1AHTR3AHTR3E
SCHEMBL7729843 0.81 ADRB1 (0.52) ADRB1HTR7HTR3AHTR3EHTR3B
SCHEMBL28079384 0.79 HTR7 (0.50) ADRB1HTR7HTR1AHTR3AHTR3E
SCHEMBL11103700 0.78 ADRB1 (0.74) ADRB1HTR7KCNH2NOTUMALDH1A1

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
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 ADRB1 150/4885HTR7 3656/4885HTR1A 4141/4885

“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.