SCHEMBL10085147

SCHEMBL10085147

COCCN(CC(=O)N(CCCCN)CC(=O)N(CC(=O)N(CCOC)CC(=O)N(CCCCN)CC(=O)N(CC(=O)N(CCCCN)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)C(C)(C)C)Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)CN(CCCCN)C(=O)CN(CCOC)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MC5R P33032 11/20 0.42
MC3R P41968 11/20 0.42
MC4R P32245 10/20 0.42
MC1R Q01726 1/20 0.42
ACHE P22303 1/20 0.41
NPSR1 Q6W5P4 1/20 0.35
SSTR4 P31391 2/20 0.33
SSTR5 P35346 1/20 0.33
NR1D1 P20393 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SSTR2 P30874 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL10085154 0.83 ACHE (0.33) ACHE
SCHEMBL12387465 0.82 MC5R (0.46) MC5RMC3RMC4RMC1RACHE
SCHEMBL12387574 0.82 MC5R (0.46) MC5RMC3RMC4RMC1RACHE
SCHEMBL10085176 0.82 MC5R (0.46) MC5RMC3RMC4RMC1RACHE
SCHEMBL13045389 0.81 MC5R (0.46) MC5RMC3RMC4RMC1RACHE
SCHEMBL12387502 0.77 MC5R (0.43) MC5RMC3RMC4R
SCHEMBL12387504 0.75 MC4R (0.42) MC5RMC3RMC4RHDAC1HDAC6
SCHEMBL10085138 0.74 HDAC3 (0.30) HDAC1HDAC6
SCHEMBL16359032 0.73 TLR7 (0.41) MC5RMC3RMC4RMC1RNPSR1
SCHEMBL12387498 0.71 VIM (0.44) MC5RMC3RMC4RMC1RACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120027677-A1 Prion-specific peptoid reagents NOVARTIS AG 2012-02-02 US disclosed
US-20120027677-A1 Prion-specific peptoid reagents NOVARTIS AG 2012-02-02 US disclosed
US-20110189692-A1 ASSAY FOR PATHOGENIC CONFORMERS NOVARTIS AG 2011-08-04 US disclosed
US-20110189692-A1 ASSAY FOR PATHOGENIC CONFORMERS NOVARTIS AG 2011-08-04 US disclosed
US-7834144-B2 Prion-specific peptoid reagents NOVARTIS AG (CH) 2010-11-16 US disclosed
US-7834144-B2 Prion-specific peptoid reagents NOVARTIS AG (CH) 2010-11-16 US disclosed
US-20070087972-A1 Prion-specific peptoid reagents NOVARTIS AG (CH) 2007-04-19 US disclosed
US-20070087972-A1 Prion-specific peptoid reagents NOVARTIS AG (CH) 2007-04-19 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 (2 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-20070087972-A1 Prion-specific peptoid reagents PRNP, PARL, PCNP MC5R 3529/4885MC3R 3280/4885MC4R 3225/4885
US-20120027677-A1 Prion-specific peptoid reagents PRNP, PARL, PCNP MC5R 3529/4885MC3R 3280/4885MC4R 3225/4885

“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.