SCHEMBL5582817

SCHEMBL5582817

O=[N+]([O-])c1ccc2c(c1)OCC(CN1CCCC1)O2

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
ADRA1D P25100 1/20 0.58
ADRA1A P35348 1/20 0.58
ADRA1B P35368 1/20 0.58
SCN1A P35498 1/20 0.58
SCN2A Q99250 1/20 0.58
SCN3A Q9NY46 1/20 0.58
CHRNB4 P30926 4/20 0.55
CHRNA3 P32297 4/20 0.55
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HTR1A P08908 2/20 0.47
DRD2 P14416 2/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL6075399 0.85 CHRNB4 (0.50) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL1011265 0.80 CHRNB4 (0.51) ADRA2ACHRNB4CHRNA3ALDH1A1MEN1
SCHEMBL16715355 0.80 CHRNB4 (0.54) ADRA2AADRA2BADRA2CCHRNB4CHRNA3
SCHEMBL1011267 0.80 CHRNB4 (0.51) ADRA2ACHRNB4CHRNA3ALDH1A1MEN1
SCHEMBL6925938 0.80 CHRNB4 (0.51) CHRNB4CHRNA3ALDH1A1MEN1KMT2A
SCHEMBL5846431 0.80 CHRNB4 (0.51) CHRNB4CHRNA3ALDH1A1MEN1KMT2A
SCHEMBL5582527 0.78 ALDH1A1 (0.48) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL5398026 0.78 ADRA2A (0.65) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL5582594 0.77 CHRNB4 (0.51) ADRA2AADRA2BADRA2CCHRNB4CHRNA3
SCHEMBL5937030 0.77 CHRNB4 (0.51) ADRA2AADRA2BADRA2CCHRNB4CHRNA3

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-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-7115750-B1 Melanin concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-03 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-20070173498-A1 Melanin concentrating hormone antagonist MC1R, MCHR1, MCHR2 ADRA2A 204/4885ADRA2B 197/4885ADRA2C 234/4885

“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.