SCHEMBL5541923

SCHEMBL5541923

Clc1cccc(CCCNc2cc[c]cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.49
CHRM2 P08172 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
CNR1 P21554 1/20 0.42
GPR84 Q9NQS5 1/20 0.42

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
SCHEMBL5541806 0.91 TAAR1 (0.56) TAAR1SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL5543706 0.86 CHRM1 (0.39) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL5535549 0.83 TAAR1 (0.50) TAAR1GPR84NOS3NOS1
SCHEMBL5537341 0.82 TAAR1 (0.49) TAAR1ALDH1A1CNR1GPR84CYP1A2
SCHEMBL5541430 0.82 CYP1A2 (0.46) TAAR1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL5539401 0.82 MTNR1A (0.38) TAAR1ALDH1A1KMT2AMEN1NOS3
SCHEMBL5541120 0.81 CHRM2 (0.49) CHRM2KMT2AMEN1LMNA
SCHEMBL5537278 0.81 CHRM1 (0.52) TAAR1SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL4827710 0.80 L3MBTL1 (0.55) ALDH1A1KMT2AMEN1HPGD
SCHEMBL5536284 0.80 SIGMAR1 (0.47) TAAR1CYP1A2CYP2D6CYP2C19

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 TAAR1 364/4885CHRM2 862/4885SMN1; SMN2 3985/4885

“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.