SCHEMBL20104592

SCHEMBL20104592

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.58
KLKB1 P03952 4/20 0.54
F12 P00748 3/20 0.54
PDCD1 Q15116 1/20 0.53
CD274 Q9NZQ7 1/20 0.53
MC4R P32245 8/20 0.53
MC1R Q01726 8/20 0.53
MC5R P33032 7/20 0.53
MC3R P41968 6/20 0.53
TUBB4A P04350 3/20 0.51
TUBB P07437 3/20 0.51
TUBA3C P0DPH7 3/20 0.51
TUBA1B P68363 3/20 0.51
TUBA4A P68366 3/20 0.51
TUBB4B P68371 3/20 0.51
TUBB3 Q13509 3/20 0.51
TUBB2A Q13885 3/20 0.51
TUBB8 Q3ZCM7 3/20 0.51
TUBA3E Q6PEY2 3/20 0.51
TUBA1A Q71U36 3/20 0.51

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
SCHEMBL20104593 1.00 PCSK9 (0.58) PCSK9KLKB1F12PDCD1CD274
SCHEMBL20104643 0.99 PCSK9 (0.59) PCSK9KLKB1F12PDCD1CD274
SCHEMBL20104572 0.94 PCSK9 (0.52) PCSK9KLKB1F12MC4RMC1R
SCHEMBL20104573 0.94 TUBB4A (0.52) PCSK9KLKB1F12MC4RMC1R
SCHEMBL20104589 0.93 MC1R (0.53) PCSK9KLKB1MC4RMC1RMC5R
SCHEMBL20104581 0.89 PCSK9 (0.62) PCSK9KLKB1PDCD1CD274MC4R
SCHEMBL20104588 0.88 PCSK9 (0.62) PCSK9KLKB1PDCD1CD274MC4R
SCHEMBL20100616 0.86 KLKB1 (0.59) PCSK9KLKB1PDCD1CD274MC4R
SCHEMBL20104590 0.83 SSTR1 (0.58) PCSK9KLKB1MC4RMC1RMC5R
SCHEMBL20104642 0.83 MC4R (0.59) PCSK9KLKB1PDCD1CD274MC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11124541-B2 Chimeric melanocortin ligands and methods of use thereof REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2021-09-21 US disclosed
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 (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-11124541-B2 Chimeric melanocortin ligands and methods of use thereof MC3R, MC4R, MC1R PCSK9 2460/4885KLKB1 2392/4885F12 821/4885
US-20180118789-A1 CHIMERIC MELANOCORTIN LIGANDS AND METHODS OF USE THEREOF MC3R, MC4R, MC1R PCSK9 2460/4885KLKB1 2392/4885F12 821/4885

“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.