SCHEMBL5538799

SCHEMBL5538799

CC1CN(C)CCN1c1ccccc1N[C]=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.38
LMNA P02545 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
MEN1 O00255 2/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
KMT2A Q03164 2/20 0.38
DRD2 P14416 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
ABCB11 O95342 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL5538805 0.81 HTR2A (0.38) HTR2ALMNAHTR2CHTR2BMEN1
SCHEMBL5535961 0.79 HTR1A (0.32) MEN1KMT2AALDH1A1HTR1AHPGD
SCHEMBL5543466 0.76 MAPK1 (0.51) LMNAMEN1KMT2ADRD2KDM4E
SCHEMBL5632308 0.74 HTR2A (0.44) HTR2ALMNAHTR2CHTR2BMEN1
SCHEMBL5631707 0.74 HTR2A (0.44) HTR2ALMNAHTR2CHTR2BMEN1
SCHEMBL5630502 0.74 HTR2A (0.44) HTR2ALMNAHTR2CHTR2BMEN1
SCHEMBL28015187 0.70
SCHEMBL5633128 0.69 MAPK1 (0.61) HTR2ALMNAHTR2CHTR2BMEN1
SCHEMBL10819374 0.69 MAPK1 (0.61) HTR2ALMNAHTR2CHTR2BMEN1
SCHEMBL10819373 0.69 MAPK1 (0.61) HTR2ALMNAHTR2CHTR2BMEN1

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 HTR2A 4120/4885LMNA 4152/4885HTR2C 2910/4885

“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.