SCHEMBL4867618

SCHEMBL4867618

O=C(NC1c2cc([N+](=O)[O-])ccc2C[C@H]1O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.50
CHRM2 P08172 3/20 0.50
CHRM4 P08173 3/20 0.50
KMT2A Q03164 4/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
NAMPT P43490 1/20 0.45
MEN1 O00255 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
ALOX5 P09917 1/20 0.41
HDAC2 Q92769 1/20 0.41
GAA P10253 1/20 0.41
WDR5 P61964 1/20 0.41
MAPT P10636 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
SCHEMBL4873762 1.00 CHRM1 (0.50) CHRM1CHRM2CHRM4KMT2AMMP1
SCHEMBL4867624 1.00 CHRM1 (0.50) CHRM1CHRM2CHRM4KMT2AMMP1
SCHEMBL7105112 0.93 NPC1 (0.46) CHRM1CHRM2CHRM4KMT2AMMP1
SCHEMBL7105107 0.93 NPC1 (0.46) CHRM1CHRM2CHRM4KMT2AMMP1
SCHEMBL10525127 0.87 CHRM1 (0.52) CHRM1CHRM2CHRM4POLBNPC1
SCHEMBL4870913 0.82 CHRM1 (0.53) CHRM1CHRM2CHRM4KMT2AMMP9
SCHEMBL4868987 0.82 CHRM1 (0.53) CHRM1CHRM2CHRM4KMT2AMMP9
SCHEMBL4868985 0.82 CHRM1 (0.53) CHRM1CHRM2CHRM4KMT2AMMP9
SCHEMBL14548877 0.82 CHRM1 (0.55) CHRM1CHRM2CHRM4KMT2AMMP2
SCHEMBL7107514 0.77 KDM4E (0.45) KMT2APOLBNPC1RAB9AMEN1

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 5 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
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 CHRM1 1/4885CHRM2 2/4885CHRM4 3/4885

“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.