SCHEMBL5546064

SCHEMBL5546064

O=C1[N]c2cc(F)ccc2N1C1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.38
HTR2C P28335 4/20 0.36
HTR2B P41595 3/20 0.36
GRIA1 P42261 2/20 0.36
GRIA2 P42262 2/20 0.36
GRIA3 P42263 2/20 0.36
GRIA4 P48058 2/20 0.36
PLAT P00750 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
HTR2A P28223 1/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
TP53 P04637 1/20 0.34
KDR P35968 1/20 0.34
MAPK14 Q16539 2/20 0.33
PARP2 Q9UGN5 1/20 0.33
PARP3 Q9Y6F1 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33

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
SCHEMBL5547354 0.84 HTR2C (0.44) HTR2CHTR2BGRIA1GRIA2GRIA3
SCHEMBL4211305 0.80 HTR2C (0.41) HTR2CHTR2BOPRM1OPRL1HTR2A
SCHEMBL10063154 0.71 OPRM1 (0.42) CCR3HTR2CHTR2BGRIA1GRIA2
SCHEMBL10062766 0.70 OPRM1 (0.43) HTR2CHTR2BOPRM1OPRL1
SCHEMBL3381685 0.70 OXTR (0.41) HTR2CHTR2B
SCHEMBL181875 0.70 OPRM1 (0.36) HTR2CHTR2BGRIA1GRIA2GRIA3
SCHEMBL5545180 0.70 SMN1; SMN2 (0.50)
SCHEMBL7414811 0.69 HTR2C (0.48) HTR2CHTR2BOPRM1OPRL1HTR2A
SCHEMBL20230166 0.69 IDO1 (0.37) CCR3HTR2CHTR2BTP53MAPK14
SCHEMBL10063160 0.69 OPRM1 (0.42) CCR3HTR2CHTR2BOPRM1OPRL1

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 CCR3 168/4885HTR2C 2910/4885HTR2B 3791/4885

“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.