SCHEMBL3436600

SCHEMBL3436600

Cc1ccccc1N1CCC(OC=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.47
TSHR P16473 2/20 0.46
SLC18A3 Q16572 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 2/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
FFAR1 O14842 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AR P10275 4/20 0.42
AKR1C3 P42330 1/20 0.41
MAPK1 P28482 1/20 0.40
ALDH1A3 P47895 1/20 0.40
C5AR1 P21730 1/20 0.39
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL5538573 0.82 ALDH1A1 (0.46) TSHRALDH1A1HTTLMNAMCOLN3
SCHEMBL3436537 0.81 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2ALDH1A3
SCHEMBL12093606 0.80 ADRB1 (0.53) ADRB1TSHRSLC18A3ALDH1A1HTT
SCHEMBL5543282 0.79 AKR1C3 (0.46) AKR1C3
SCHEMBL5542729 0.79 HTR1A (0.38) TSHR
SCHEMBL5536437 0.78 ADRB1 (0.47) ADRB1TSHRSLC18A3ALDH1A1HTT
SCHEMBL5536223 0.77 MBTD1 (0.47) ADRB1TSHRSLC18A3ALDH1A1LMNA
SCHEMBL5540477 0.77 TTR (0.37) FFAR1AKR1C3
SCHEMBL2095415 0.74 KMT2A (0.65) ADRB1TSHRSLC18A3ALDH1A1HTT
SCHEMBL5540472 0.74 MAPT (0.47) ADRB1ALDH1A1LMNAFFAR1SMN1; SMN2

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 7 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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US 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 (2 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 150/4885TSHR 319/4885SLC18A3 4220/4885
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 ADRB1 37/4885TSHR 867/4885SLC18A3 1714/4885

“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.