SCHEMBL5534813

SCHEMBL5534813

c1cc(N2CCNCC2)ccc1OC1CCCCO1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.49
HTR3E A5X5Y0 4/20 0.49
HTR3B O95264 4/20 0.49
HTR3A P46098 4/20 0.49
HTR3D Q70Z44 4/20 0.49
HTR3C Q8WXA8 4/20 0.49
SIGMAR1 Q99720 4/20 0.49
LTA4H P09960 4/20 0.47
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
ALDH1A1 P00352 3/20 0.38
ADRB2 P07550 1/20 0.38
NCF1 P14598 1/20 0.38
PLD1 Q13393 1/20 0.38
HTR5A P47898 1/20 0.38
TNK2 Q07912 1/20 0.38
SLC18A3 Q16572 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL29656929 0.90 ALDH1A1 (0.45) ALDH1A1TNK2SLC18A3MAPTLMNA
SCHEMBL5541756 0.81 KCNH2 (0.41) ALDH1A1TNK2SLC18A3
SCHEMBL3500438 0.80 TNK2 (0.44) ALDH1A1TNK2KDM4ELMNA
SCHEMBL24983920 0.78 SLC6A2 (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30163959 0.78 SLC6A2 (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL18553743 0.78 ADRB1 (0.56) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5535588 0.77 KCNH2 (0.50)
Hydrochloric Acid SCHEMBL6539081 0.77 ADRB1 (0.54) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL14922257 0.77 ADRB1 (0.54) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL8259263 0.76 ADRB1 (0.57) ADRB1HTR3EHTR3BHTR3AHTR3D

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-114516849-A Synthesis method of 1- (4-aminophenyl) -4- (4-hydroxyphenyl) piperazine 江苏恒盛药业有限公司 2022-05-20 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 ADRB1 150/4885HTR3E 3949/4885HTR3B 2129/4885

“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.