SCHEMBL5542604

SCHEMBL5542604

O=[C]CCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.55
TAAR1 Q96RJ0 1/20 0.55
SIGMAR1 Q99720 12/20 0.48
IDO1 P14902 3/20 0.48
IGF1R P08069 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP1A2 P05177 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
PYGL P06737 1/20 0.44
CYP2D6 P10635 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
DAO P14920 1/20 0.41

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
SCHEMBL5544401 0.88 IGF1R (0.53) PNMTTAAR1SIGMAR1IDO1IGF1R
SCHEMBL5545863 0.86 IGF1R (0.56) PNMTTAAR1SIGMAR1IDO1IGF1R
SCHEMBL5539473 0.85 IGF1R (0.54) PNMTTAAR1SIGMAR1IDO1IGF1R
SCHEMBL2701205 0.82 PNMT (0.37) PNMTTAAR1SIGMAR1CYP1A2MEN1
SCHEMBL95777 0.82 PNMT (0.46) PNMTTAAR1SIGMAR1IDO1IGF1R
SCHEMBL95778 0.82 PNMT (0.46) PNMTTAAR1SIGMAR1IDO1IGF1R
SCHEMBL97464 0.78 PNMT (0.54) PNMTTAAR1SIGMAR1IDO1IGF1R
SCHEMBL9206133 0.77 GFER (0.36) TAAR1CYP1A2MEN1KMT2A
SCHEMBL7328450 0.76 PNMT (0.61) PNMTTAAR1SIGMAR1IDO1IGF1R
SCHEMBL440374 0.76 TAAR1 (0.50) TAAR1IDO1IGF1RALOX15CYP1A2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5672582-A ANTICOAGULANTS; 4-SUBSTITUTED CYCLOHEXYLAMINE DERIVATIVES MERCK & CO., INC. (US) 1997-09-30 US claimed
WO-1996011697-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 1996-04-25 WO claimed
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
US-5672582-A ANTICOAGULANTS; 4-SUBSTITUTED CYCLOHEXYLAMINE DERIVATIVES MERCK & CO., INC. (US) 1997-09-30 US disclosed
WO-1996011697-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 1996-04-25 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 PNMT 4701/4885TAAR1 364/4885SIGMAR1 234/4885

“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.