SCHEMBL2304732

SCHEMBL2304732

CCNC(=O)[C@@H](N)CCCNC(=N)N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 3/20 0.56
GNAI3 P08754 1/20 0.49
GNAO1 P09471 1/20 0.49
GNAI1 P63096 1/20 0.49
RRM1 P23921 1/20 0.47
NPY4R P50391 9/20 0.42
NPY1R P25929 5/20 0.42
NPY2R P49146 4/20 0.42
NPY5R Q15761 4/20 0.42
NOD1 Q9Y239 1/20 0.41
SLC15A1 P46059 1/20 0.40
NOS1 P29475 1/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
OTC P00480 1/20 0.36
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36

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
SCHEMBL13062154 1.00 DPP7 (0.56) DPP7GNAI3GNAO1GNAI1RRM1
Hydrochloric Acid SCHEMBL9556550 0.98 DPP7 (0.54) DPP7GNAI3GNAO1GNAI1RRM1
Hydrochloric Acid SCHEMBL9556545 0.98 DPP7 (0.54) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL7324660 0.89 DPP7 (0.68) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL7324651 0.89 DPP7 (0.68) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL19371883 0.89 DPP7 (0.63) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL23610947 0.88 DPP7 (0.61) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL23626315 0.88 DPP7 (0.61) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL27114206 0.87 DPP7 (0.76) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL24420660 0.86 DPP7 (0.73) DPP7GNAI3GNAO1GNAI1RRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022225422-A1 HEPTAPEPTIDE AMIDES FOR USE IN THE TREATMENT OF HMGB1-DEPENDENT DISEASES Federal State Budgetary Institution Scientific center of biomedical technologies of Federal Medical and Biological Agency (RU) 2022-10-27 WO disclosed
EP-2349242-B1 AMINO ACID SALTS OF PROSTAGLANDINS NOVAER HOLDINGS INC (US) 2018-12-05 EP disclosed
US-8722739-B2 Amino acid salts of prostaglandins NOVAER HOLDINGS, INC. (US) 2014-05-13 US disclosed
US-20140031423-A1 AMINO ACID SALTS OF PROSTAGLANDINS NOVAER HOLDINGS, INC. (US) 2014-01-30 US disclosed
US-8623918-B2 Amino acid salts of prostaglandins NOVAER HOLDINGS, INC. (US) 2014-01-07 US disclosed
US-8470882-B2 2013-06-25 US disclosed
EP-2349242-A2 AMINO ACID SALTS OF PROSTAGLANDINS Aerie Pharmaceuticals, Inc. (US) 2011-08-03 EP disclosed
WO-2010096123-A2 AMINO ACID SALTS OF PROSTAGLANDINS AERIE PHARMACEUTICALS, INC. (US) 2010-08-26 WO disclosed
US-20100105771-A1 AMINO ACID SALTS OF PROSTAGLANDINS NOVAER HOLDINGS, INC. 2010-04-29 US disclosed
US-20100105775-A1 AMINO ACID SALTS OF PROSTAGLANDINS NOVAER HOLDINGS, INC. 2010-04-29 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 (3 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-20100105771-A1 AMINO ACID SALTS OF PROSTAGLANDINS PTGIS, PTGES, PTGIR DPP7 1412/4885GNAI3 1385/4885GNAO1 2388/4885
US-20100105775-A1 AMINO ACID SALTS OF PROSTAGLANDINS PTGIS, PTGES, PTGIR DPP7 1412/4885GNAI3 1385/4885GNAO1 2388/4885
US-20140031423-A1 AMINO ACID SALTS OF PROSTAGLANDINS PTGIS, PTGES, PTGIR DPP7 1412/4885GNAI3 1385/4885GNAO1 2388/4885

“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.