SCHEMBL4873505

SCHEMBL4873505

CC(C)(C)OC(=O)NC1c2cc([N+](=O)[O-])ccc2CC1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.48
MAPT P10636 4/20 0.45
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
SIRT2 Q8IXJ6 1/20 0.42
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
MAPK1 P28482 1/20 0.39
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 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
SCHEMBL2113512 1.00 DRD2 (0.48) DRD2MAPTALOX5NPC1RAB9A
SCHEMBL4873510 1.00 DRD2 (0.48) DRD2MAPTALOX5NPC1RAB9A
SCHEMBL4908391 1.00 DRD2 (0.48) DRD2MAPTALOX5NPC1RAB9A
SCHEMBL4651408 0.81 NR1H2 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL2113831 0.81 NR1H2 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL4652861 0.81 EPHX2 (0.38) ALDH1A1MMP9MEN1KMT2A
SCHEMBL5121326 0.81 NR1H2 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL4652641 0.81 EPHX2 (0.38) ALDH1A1MMP9MEN1KMT2A
SCHEMBL4651411 0.81 NR1H2 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL2113457 0.81 EPHX2 (0.38) ALDH1A1MMP9MEN1KMT2A

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
EP-1436249-B1 MUSCARINIC AGONISTS LILLY CO ELI (US) 2013-11-06 EP disclosed
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
US-6221876-B1 190 KDA MULTIDRUG RESISTANCE PROTEIN (MRP1); 1-AMINO-2-HYDROXYINDAN-6-YL)ISOXAZOLO(3, 4-C)-1,2-DIHYDRO-3-METHYL-6-CHLOROQUINOLIN-2-ONE DERIVATIVES ELI LILLY AND COMPANY 2001-04-24 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-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 687/4885ALOX5 1829/4885

“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.