SCHEMBL4873027

SCHEMBL4873027

NC1c2cc([N+](=O)[O-])ccc2C[C@H]1O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.48
CHRNA3 P32297 2/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
HSP90AA1 P07900 1/20 0.43
PNMT P11086 6/20 0.43
ADRA2A P08913 3/20 0.43
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
TLR9 Q9NR96 1/20 0.42
HTR1A P08908 2/20 0.42
SLC18A3 Q16572 1/20 0.40

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
SCHEMBL1292916 1.00 CHRNB4 (0.48) CHRNB4CHRNA3CHRNB2CHRNA4HSP90AA1
SCHEMBL16105229 1.00 CHRNB4 (0.48) CHRNB4CHRNA3CHRNB2CHRNA4HSP90AA1
SCHEMBL1711411 1.00 CHRNB4 (0.48) CHRNB4CHRNA3CHRNB2CHRNA4HSP90AA1
SCHEMBL2114569 1.00 CHRNB4 (0.48) CHRNB4CHRNA3CHRNB2CHRNA4HSP90AA1
SCHEMBL2760561 1.00 CHRNB4 (0.48) CHRNB4CHRNA3CHRNB2CHRNA4HSP90AA1
SCHEMBL2760982 1.00 CHRNB4 (0.48) CHRNB4CHRNA3CHRNB2CHRNA4HSP90AA1
SCHEMBL1292952 1.00 CHRNB4 (0.48) CHRNB4CHRNA3CHRNB2CHRNA4HSP90AA1
Hydrochloric Acid SCHEMBL1292998 0.98 CHRNB4 (0.47) CHRNB4CHRNA3CHRNB2CHRNA4HSP90AA1
SCHEMBL4873492 0.85 HSP90AA1 (0.44) CHRNB4CHRNA3CHRNB2CHRNA4HSP90AA1
SCHEMBL4870044 0.85 HSP90AA1 (0.44) CHRNB4CHRNA3CHRNB2CHRNA4HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326731-B2 Muscarinic agonists ELI LILLY AND COMPANY (US) 2008-02-05 US disclosed
US-20040242584-A1 exemplified by Biphenyl-4-carboxylic acid (R)-(6-(1-((4-fluorobenzyl)methylamino)ethylideneamino) 2(R)-hydroxyindan-1-yl)amide; treating cognitive impairment associated with schizophrenia or Alzheimer's disease ELI LILLY AND COMPANY 2004-12-02 US disclosed
EP-1436249-A2 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2004-07-14 EP disclosed
WO-2003027061-A2 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2003-04-03 WO 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-20040242584-A1 exemplified by Biphenyl-4-carboxylic acid (R)-(6-(1-((4-fluorobenzyl)methylamino)ethylideneamino) 2(R)-hydroxyindan-1-yl)amide; treating cognitive impairment associated with schizophrenia or Alzheimer's disease CHRM1, CHRM2, CHRM4 CHRNB4 21/4885CHRNA3 25/4885CHRNB2 24/4885

“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.