SCHEMBL4200656

SCHEMBL4200656

COc1cc(N)ccc1OC1CN(C(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
PDE4B Q07343 11/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
NR4A1 P22736 1/20 0.40
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
RAD52 P43351 1/20 0.39
GFER P55789 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL15514844 0.90 PDE4B (0.47) ALDH1A1PDE4BEGFRERBB2PDE4A
SCHEMBL4224358 0.86 PDE4B (0.48) ALDH1A1PDE4BPDE4APDE4CPDE4D
SCHEMBL2581353 0.83 PDE4B (0.53) PDE4BPDE4APDE4CPDE4D
SCHEMBL4213774 0.82 RBP4 (0.41)
SCHEMBL31378914 0.81 MAPT (0.50) ALDH1A1PDE4BKDM4EGAAMAPT
SCHEMBL4519218 0.78 PDE4B (0.59) PDE4BPDE4APDE4CPDE4D
SCHEMBL4202107 0.77 PDE4B (0.59) ALDH1A1PDE4BPDE4APDE4CPDE4D
SCHEMBL4202110 0.77 PDE4B (0.59) ALDH1A1PDE4BPDE4APDE4CPDE4D
SCHEMBL15509004 0.77 PDE4B (0.59) ALDH1A1PDE4BPDE4APDE4CPDE4D
SCHEMBL15321287 0.74 PDE4D (0.42) PDE4BGAAPDE4APDE4CPDE4D

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-8263772-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-09-11 US disclosed
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-04-09 US disclosed
EP-2029609-A2 NOVEL MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-03-04 EP disclosed
WO-2007146758-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 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-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R ALDH1A1 1267/4885PDE4B 1851/4885KDM4E 2628/4885

“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.