SCHEMBL4600219

SCHEMBL4600219

COc1cccc(NCC(=O)N[C@@H](CCCCN)C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.47
MTNR1B P49286 4/20 0.47
GRK2 P25098 3/20 0.45
GRK5 P34947 3/20 0.45
GRK3 P35626 3/20 0.45
ROCK2 O75116 1/20 0.45
C3AR1 Q16581 1/20 0.45
NPC1 O15118 2/20 0.44
USP2 O75604 1/20 0.44
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A5 Q9Y345 1/20 0.42
CPB2 Q96IY4 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC1 Q13547 1/20 0.42
CASR P41180 1/20 0.42

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
SCHEMBL4600227 1.00 MTNR1A (0.47) MTNR1AMTNR1BGRK2GRK5GRK3
SCHEMBL4739946 0.89 GRK2 (0.47) GRK2GRK5GRK3ROCK2LMNA
SCHEMBL4739940 0.89 GRK2 (0.47) GRK2GRK5GRK3ROCK2LMNA
SCHEMBL4889467 0.83 MEN1 (0.46) GRK2GRK5GRK3ROCK2C3AR1
SCHEMBL4889077 0.83 FOLH1 (0.54) GRK2GRK5GRK3C3AR1NPC1
SCHEMBL4889060 0.83 FOLH1 (0.54) GRK2GRK5GRK3C3AR1NPC1
SCHEMBL4889478 0.83 MEN1 (0.46) GRK2GRK5GRK3ROCK2C3AR1
SCHEMBL4738209 0.83 MEN1 (0.51) C3AR1MEN1KMT2ACPB2SMN1; SMN2
SCHEMBL4738198 0.83 MEN1 (0.51) C3AR1MEN1KMT2ACPB2SMN1; SMN2
SCHEMBL4600027 0.82 LTA4H (0.48) HDAC1

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-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 EP disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 US disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 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 (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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 MTNR1A 2724/4885MTNR1B 3292/4885GRK2 4756/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH MTNR1A 4012/4885MTNR1B 4145/4885GRK2 4244/4885

“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.