SCHEMBL5490413

SCHEMBL5490413

OCC[N]c1ccc([N]CCO)cc1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
POLB P06746 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30

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
SCHEMBL7789999 0.87 HTR3E (0.43) ADRA2AADRA2BADRA2CNOS3NOS1
SCHEMBL7790448 0.87 HTR3A (0.43) ADRA2AADRA2BADRA2CNOS3NOS1
SCHEMBL1720891 0.86 ALDH1A1 (0.41) NOS3NOS1
SCHEMBL8697303 0.73 GABRP (0.38) ADRA2AADRA2BADRA2CNOS3
SCHEMBL7794049 0.71 HTR3A (0.39) ADRA2AADRA2BADRA2CNOS3NOS1
SCHEMBL10502034 0.71 ALDH1A1 (0.38) POLBNOS3NOS1
SCHEMBL8696375 0.70 HTR3E (0.50) POLBNOS3NOS1
SCHEMBL10775857 0.70 HTR3E (0.50)
SCHEMBL10503151 0.68 MIF (0.35) POLB
SCHEMBL6651377 0.68 PLG (0.40) NOS3NOS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7211119-B2 Coupling components HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-05-01 US disclosed
US-20060000032-A1 Novel coupling components HENKEL AG & CO. KGAA (DE) 2006-01-05 US 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-20060000032-A1 Novel coupling components KRT18, C9, H1-4 ADRA2A 4083/4885ADRA2B 3912/4885ADRA2C 3581/4885

“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.