SCHEMBL5541806

SCHEMBL5541806

Clc1cccc(CCNc2cc[c]cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.56
GPR84 Q9NQS5 1/20 0.50
CNR1 P21554 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NOS1 P29475 3/20 0.45
NOS3 P29474 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL5541923 0.91 TAAR1 (0.49) TAAR1GPR84CNR1ALDH1A1KMT2A
SCHEMBL5539661 0.85 CNR1 (0.43) TAAR1GPR84CNR1ALDH1A1KMT2A
SCHEMBL5541120 0.83 CHRM2 (0.49) KMT2AMEN1HDAC3HDAC1HDAC2
SCHEMBL5541449 0.82 TAAR1 (0.57) TAAR1GPR84CNR1NOS1NOS3
SCHEMBL5544638 0.81 MAPT (0.49) TAAR1CNR1ALDH1A1KMT2ACYP1A2
SCHEMBL5541615 0.81 TAAR1 (0.56) TAAR1GPR84CNR1CYP1A2CYP2D6
SCHEMBL26267920 0.81 TAAR1 (0.65) TAAR1GPR84CNR1ALDH1A1KMT2A
SCHEMBL5539704 0.80 GPR84 (0.50) TAAR1GPR84CNR1ALDH1A1KMT2A
SCHEMBL5544020 0.79 L3MBTL1 (0.70) TAAR1ALDH1A1KMT2ASMN1; SMN2CYP1A2
SCHEMBL5542459 0.79 SIGMAR1 (0.50) TAAR1CYP1A2CYP2D6CYP2C19PLAAT3

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 364/4885GPR84 318/4885CNR1 857/4885

“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.