SCHEMBL4678774

SCHEMBL4678774

O=C(Nc1ccccc1C1CCN(C(=O)O)CC1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
CHRM3 P20309 15/20 0.47
KMT2A Q03164 2/20 0.46
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
OPRD1 P41143 1/20 0.44

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
SCHEMBL6321208 0.86 BACE1 (0.48) EPHX2CHRM3KMT2A
SCHEMBL6762510 0.80 KMT2A (0.52) EPHX2CHRM3KMT2AOPRD1
Hydrochloric Acid SCHEMBL4699869 0.79 AKT1 (0.43) CHRM3CHRM2CHRM1
SCHEMBL29266669 0.78 EPHX2 (0.47) EPHX2CHRM3KMT2ACHRM2CHRM1
SCHEMBL2358709 0.77 FABP5 (0.54) KMT2A
SCHEMBL3219970 0.77 FABP5 (0.49) EPHX2KMT2AOPRD1
SCHEMBL7064694 0.76 MDM4 (0.45) EPHX2KMT2AOPRD1
SCHEMBL29401765 0.76 EPHX2 (0.60) EPHX2CHRM3KMT2ACHRM2CHRM1
SCHEMBL29913938 0.76 EPHX2 (0.60) EPHX2CHRM3KMT2ACHRM2CHRM1
SCHEMBL119223 0.76 EPHX2 (0.60) EPHX2CHRM3KMT2ACHRM2CHRM1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1416933-B8 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-08-27 EP disclosed
EP-1416933-B1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM INC (US) 2008-01-02 EP disclosed
US-6977264-B2 Substituted piperidines and methods of use AMGEN INC. (US) 2005-12-20 US disclosed
EP-1416933-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgem, Inc. (US) 2004-05-12 EP disclosed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 US disclosed
WO-2003009847-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM, INC. (US) 2003-02-06 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-20040006067-A1 Substituted piperidines and methods of use MC4R, MC5R, MC1R EPHX2 1495/4885CHRM3 521/4885KMT2A 1616/4885

“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.