SCHEMBL13086221

SCHEMBL13086221

CN1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCCCNC(=N)N

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.41
MMP9 P14780 1/20 0.40
ABCB1 P08183 1/20 0.40
USP2 O75604 1/20 0.39
MC4R P32245 1/20 0.38
MC3R P41968 1/20 0.38
MC1R Q01726 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
AGTR2 P50052 2/20 0.37
FKBP1A P62942 2/20 0.37
PRCP P42785 1/20 0.37
BDKRB2 P30411 2/20 0.37

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
SCHEMBL13085978 0.89 MMP9 (0.42) BACE1MMP9ABCB1USP2TMEM97
SCHEMBL23942920 0.77 AGTR2 (0.53) BACE1MMP9TMEM97CARM1PRMT6
SCHEMBL26207194 0.77 AGTR2 (0.53) BACE1MMP9TMEM97CARM1PRMT6
SCHEMBL13086195 0.77 BDKRB2 (0.41) BACE1MMP9ABCB1MC4RMC3R
SCHEMBL24251891 0.77 MMP9 (0.45) BACE1MMP9TMEM97CARM1PRMT6
SCHEMBL9969601 0.76 AGTR2 (0.46) BACE1MMP9TMEM97CARM1PRMT6
SCHEMBL8290842 0.76 AGTR2 (0.46) BACE1MMP9TMEM97CARM1PRMT6
SCHEMBL14597374 0.76 AGTR2 (0.46) BACE1MMP9TMEM97CARM1PRMT6
SCHEMBL18544679 0.71 CTSL (0.44) BACE1MMP9TMEM97CARM1PRMT6
SCHEMBL23371645 0.70 AGTR2 (0.40) BACE1MMP9TMEM97CARM1PRMT6

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-7807678-B2 Peptidomimetics of biologically active metallopeptides PALATIN TECHNOLOGIES, INC. (US) 2010-10-05 US disclosed
US-7601753-B2 Pyrrolidine melanocortin-specific compounds PALATIN TECHNOLOGIES, INC. (US) 2009-10-13 US disclosed
US-20070155670-A1 Pyrrolidine Melanocortin-Specific Compounds PALATIN TECHNOLOGIES, INC. (US) 2007-07-05 US disclosed
US-7189755-B2 Pyrrolidine melanocortin-specific compounds PALATIN TECHNOLOGIES, INC. (US) 2007-03-13 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-20070155670-A1 Pyrrolidine Melanocortin-Specific Compounds MC3R, MC1R, MC5R BACE1 4492/4885MMP9 4848/4885ABCB1 4233/4885

“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.