SCHEMBL20100616

SCHEMBL20100616

CC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 5/20 0.59
PCSK9 Q8NBP7 1/20 0.59
PDCD1 Q15116 1/20 0.55
CD274 Q9NZQ7 1/20 0.55
MC3R P41968 9/20 0.55
MC4R P32245 8/20 0.55
MC5R P33032 8/20 0.55
MC1R Q01726 8/20 0.55
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
MMP2 P08253 1/20 0.52

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
SCHEMBL20104588 0.96 PCSK9 (0.62) KLKB1PCSK9PDCD1CD274MC3R
SCHEMBL20104581 0.90 PCSK9 (0.62) KLKB1PCSK9PDCD1CD274MC3R
SCHEMBL29666534 0.90 HDAC3 (0.61) PCSK9CD274HDAC3HDAC4HDAC1
SCHEMBL23835709 0.89 MC4R (0.60) KLKB1PCSK9PDCD1CD274MC3R
SCHEMBL20100614 0.87 MC4R (0.57) KLKB1PCSK9PDCD1CD274MC3R
SCHEMBL20104643 0.87 PCSK9 (0.59) KLKB1PCSK9PDCD1CD274MC3R
SCHEMBL29666814 0.86 ACE2 (0.56) KLKB1PCSK9PDCD1CD274HDAC3
SCHEMBL29666558 0.86 HDAC3 (0.64) MC3RMC5RHDAC3HDAC4HDAC1
SCHEMBL20104593 0.86 PCSK9 (0.58) KLKB1PCSK9PDCD1CD274MC3R
SCHEMBL20104592 0.86 PCSK9 (0.58) KLKB1PCSK9PDCD1CD274MC3R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118789-A1 CHIMERIC MELANOCORTIN LIGANDS AND METHODS OF USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA 2018-05-03 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 (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-20180118789-A1 CHIMERIC MELANOCORTIN LIGANDS AND METHODS OF USE THEREOF MC3R, MC4R, MC1R KLKB1 2392/4885PCSK9 2460/4885PDCD1 3722/4885

“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.