SCHEMBL5542230

SCHEMBL5542230

Clc1cccc(CCCNc2cc[c]cc2)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.45
PNMT P11086 1/20 0.41
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
IDO1 P14902 2/20 0.37
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
CASR P41180 2/20 0.34
HTR1A P08908 2/20 0.34
HTR2A P28223 2/20 0.34
HTR6 P50406 2/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
SLC6A2 P23975 1/20 0.34
HRH2 P25021 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL5536851 0.91 TAAR1 (0.47) TAAR1PNMTCYP1A2GLACYP3A4
SCHEMBL5546495 0.88 TAAR1 (0.46) TAAR1PNMTIDO1ALDH1A1MAPT
SCHEMBL5536759 0.81 PNMT (0.46) TAAR1PNMTCYP1A2GLACYP3A4
SCHEMBL5544074 0.78 TAAR1 (0.53) TAAR1PNMTCYP1A2GLACYP3A4
SCHEMBL11357678 0.77 TAAR1 (0.53) TAAR1PNMTCYP1A2GLACYP3A4
SCHEMBL5537497 0.77 MPO (0.37) TAAR1CYP1A2GLACYP3A4CYP2D6
SCHEMBL5539839 0.76 MPO (0.49) TAAR1CYP1A2GLACYP3A4CYP2D6
SCHEMBL5540596 0.76 MAPT (0.35) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5540569 0.76 CNR1 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19IDO1
SCHEMBL5539997 0.75 TAAR1 (0.42) TAAR1CYP1A2CYP3A4CYP2C19ALDH1A1

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 364/4885PNMT 4701/4885CYP1A2 659/4885

“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.