SCHEMBL5544542

SCHEMBL5544542

O=[C]CN1CCN(Cc2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.56
ALDH1A1 P00352 1/20 0.55
TSHR P16473 1/20 0.55
SIGMAR1 Q99720 2/20 0.55
CYP2D6 P10635 2/20 0.54
CYP2C19 P33261 1/20 0.54
FAAH O00519 2/20 0.54
HRH3 Q9Y5N1 4/20 0.50
HRH4 Q9H3N8 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
MGLL Q99685 1/20 0.49
KCNH2 Q12809 1/20 0.48
MC4R P32245 1/20 0.47

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
SCHEMBL3030830 0.90 SIGMAR1 (0.69) ALDH1A1SIGMAR1LMNAPOLBKMT2A
SCHEMBL25421749 0.85 SIGMAR1 (0.62) CHKAALDH1A1SIGMAR1CYP2D6CYP2C19
SCHEMBL16226080 0.84 SIGMAR1 (0.78) CHKAALDH1A1TSHRSIGMAR1CYP2D6
SCHEMBL2323008 0.79 LMNA (0.62) ALDH1A1LMNAPOLBMAPK1KMT2A
SCHEMBL1690956 0.78 CYP2D6 (0.85) CHKAALDH1A1TSHRSIGMAR1CYP2D6
SCHEMBL10702814 0.77 CHKA (0.61) CHKAALDH1A1TSHRSIGMAR1CYP2D6
SCHEMBL24023433 0.77 CHKA (0.66) CHKAALDH1A1TSHRSIGMAR1CYP2D6
SCHEMBL3687427 0.77 CHKA (0.87) CHKAALDH1A1TSHRSIGMAR1CYP2D6
SCHEMBL24023622 0.77 CYP2D6 (0.89) CHKAALDH1A1SIGMAR1CYP2D6CYP2C19
SCHEMBL24023625 0.77 CYP2D6 (0.89) CHKAALDH1A1SIGMAR1CYP2D6CYP2C19

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 CHKA 4080/4885ALDH1A1 355/4885TSHR 319/4885

“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.