SCHEMBL4868987

SCHEMBL4868987

Nc1ccc2c(c1)[C@@H](NC(=O)c1ccc(-c3ccccc3)cc1)[C@H](O)C2

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 9/20 0.53
CHRM2 P08172 6/20 0.53
CHRM4 P08173 6/20 0.53
NAMPT P43490 1/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SMYD3 Q9H7B4 2/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HDAC1 Q13547 1/20 0.43
MMP9 P14780 1/20 0.42
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL4870913 1.00 CHRM1 (0.53) CHRM1CHRM2CHRM4NAMPTMEN1
SCHEMBL4868985 1.00 CHRM1 (0.53) CHRM1CHRM2CHRM4NAMPTMEN1
SCHEMBL14548877 0.86 CHRM1 (0.55) CHRM1CHRM2CHRM4NAMPTMEN1
SCHEMBL4868636 0.85 CHRM1 (0.56) CHRM1CHRM2CHRM4NAMPT
SCHEMBL5115602 0.85 CHRM1 (0.56) CHRM1CHRM2CHRM4NAMPT
SCHEMBL5115604 0.85 CHRM1 (0.56) CHRM1CHRM2CHRM4NAMPT
SCHEMBL4867618 0.82 CHRM1 (0.50) CHRM1CHRM2CHRM4NAMPTMEN1
SCHEMBL4867624 0.82 CHRM1 (0.50) CHRM1CHRM2CHRM4NAMPTMEN1
SCHEMBL4873762 0.82 CHRM1 (0.50) CHRM1CHRM2CHRM4NAMPTMEN1
SCHEMBL2113915 0.81 CHRM1 (0.35) CHRM1CHRM2CHRM4NAMPTMEN1

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.