SCHEMBL4872932

SCHEMBL4872932

CC(C)(C)OC(=O)NC1CCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.52
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
ALOX5 P09917 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HTR2A P28223 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL5969938 0.83 CA12 (0.51) KMT2ARAB9ASMN1; SMN2MEN1CHRNB2
SCHEMBL1372805 0.82 MAOA (0.50)
SCHEMBL3300984 0.82 MAOA (0.50)
SCHEMBL7942829 0.82 MAOA (0.50)
SCHEMBL17040762 0.82 TRPV1 (0.46) DRD2KMT2AMEN1LMNA
SCHEMBL485350 0.81 BACE1 (0.43) DRD2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL485349 0.81 BACE1 (0.43) DRD2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4872166 0.81 NR1H2 (0.43) DRD2
SCHEMBL5792627 0.80 DRD2 (0.47) DRD2MAPTALOX5NPC1RAB9A
SCHEMBL6263299 0.80 KMT2A (0.45) DRD2KMT2ASMN1; SMN2MEN1CHRNB2

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 DRD2 178/4885MAPT 687/4885KMT2A 917/4885

“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.