SCHEMBL2280440

SCHEMBL2280440

CN(C)C(=O)[C@@H](N)CCCCN

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.57
GNAI3 P08754 1/20 0.45
GNAO1 P09471 1/20 0.45
GNAI1 P63096 1/20 0.45
DPP7 Q9UHL4 8/20 0.41
DPP8 Q6V1X1 4/20 0.41
DPP9 Q86TI2 4/20 0.41
RNPEP Q9H4A4 1/20 0.41
DPP4 P27487 2/20 0.40
CPB2 Q96IY4 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
FAP Q12884 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
Hydrochloric Acid SCHEMBL8078485 0.98 GSR (0.55) GSRGNAI3GNAO1GNAI1DPP7
Hydrochloric Acid SCHEMBL21931161 0.98 GSR (0.55) GSRGNAI3GNAO1GNAI1DPP7
Hydrochloric Acid SCHEMBL14311789 0.98 GSR (0.55) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL8183815 0.94 GSR (0.48) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL18281190 0.85 DPP7 (0.40) GSRDPP7DPP8DPP9DPP4
SCHEMBL18281192 0.85 DPP7 (0.40) GSRDPP7DPP8DPP9DPP4
SCHEMBL29245609 0.82 GSR (0.52) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL30312063 0.82 GRIK1 (0.49) GNAI3GNAO1GNAI1DPP7
SCHEMBL14311843 0.82 NOS2 (0.40) GSRDPP9DPP4NOS3NOS1
SCHEMBL4594803 0.81 DPP7 (0.48) DPP7DPP8DPP9DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207712-A1 Phosphatidylinositol 3-Kinase Inhibitors And Methods Of Their Use EXELIXIS, INC. (US) 2011-08-25 US claimed
US-20100087440-A1 Phosphatidylinositol 3-Kinase Inhibitors and Methods of Their Use EXELIXIS, INC. 2010-04-08 US claimed
EP-2139483-A2 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER Exelixis, Inc. (US) 2010-01-06 EP claimed
WO-2008127594-A2 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2008-10-23 WO claimed
EP-1931645-A2 N- (3-AMINO-QUINOXALIN-2-YL) -SULFONAMIDE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS Exelixis, Inc. (US) 2008-06-18 EP claimed
WO-2007044729-A2 N- (3-AMINO-QUINOXALIN-2-YL) -SULFONAMIDE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS EXELIXIS, INC. (US) 2007-04-19 WO claimed
EP-4162955-A1 CNP PRODRUGS WITH CARRIER ATTACHMENT AT THE RING MOIETY Ascendis Pharma Growth Disorders A/S (DK) 2023-04-12 EP disclosed
EP-3368544-B1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
WO-2017118700-A1 CONTROLLED-RELEASE CNP AGONISTS WITH INCREASED NEP STABILITY ASCENDIS PHARMA GROWTH DISORDERS A/S (DK) 2017-07-13 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-20100087440-A1 Phosphatidylinositol 3-Kinase Inhibitors and Methods of Their Use PIK3CA, PIK3CB, PIK3CG GSR 2974/4885GNAI3 311/4885GNAO1 1286/4885
US-20110207712-A1 Phosphatidylinositol 3-Kinase Inhibitors And Methods Of Their Use PIK3CA, PIK3CB, PIK3CG GSR 2974/4885GNAI3 311/4885GNAO1 1286/4885

“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.