SCHEMBL120692

SCHEMBL120692

CC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 5/20 0.51
DPP9 Q86TI2 5/20 0.51
DPP7 Q9UHL4 5/20 0.51
GNAI3 P08754 1/20 0.48
GNAO1 P09471 1/20 0.48
GNAI1 P63096 1/20 0.48
GSR P00390 1/20 0.46
DPP4 P27487 2/20 0.46
SLC15A1 P46059 1/20 0.39
MMP2 P08253 1/20 0.39
CPB2 Q96IY4 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL22612668 0.87 GSR (0.55) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL21879356 0.87 DPP8 (0.51) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL31722025 0.87 GSR (0.55) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL14906253 0.87 GSR (0.55) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL28000252 0.87 GSR (0.55) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL120711 0.83 DPP7 (0.54) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL30569498 0.82 DPP8 (0.50) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL29985350 0.82 GSR (0.49) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL29374543 0.82 GSR (0.49) DPP8DPP9DPP7GNAI3GNAO1
Acetic Acid SCHEMBL25216563 0.82 FOLH1 (0.46) DPP8DPP9DPP7GNAI3GNAO1

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-20150306084-A1 ADENOSINE A1 AGONISTS FOR THE TREATMENT OF GLAUCOMA AND OCULAR HYPERTENSION BAYER IP GMBH (DE) 2015-10-29 US disclosed
US-9040566-B2 Adenosine A1 agonists for the treatment of glaucoma and ocular hypertension BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-26 US disclosed
US-20130210797-A1 ADENOSINE A1 AGONISTS FOR THE TREATMENT OF GLAUCOMA AND OCULAR HYPERTENSION BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-15 US disclosed
US-20120058983-A1 Adenosine A1 agonists for the treatment of glaucoma and ocular hypertension BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-08 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-20130210797-A1 ADENOSINE A1 AGONISTS FOR THE TREATMENT OF GLAUCOMA AND OCULAR HYPERTENSION ADORA1, ADORA3, ADORA2A DPP8 829/4885DPP9 657/4885DPP7 749/4885
US-20120058983-A1 Adenosine A1 agonists for the treatment of glaucoma and ocular hypertension ADORA1, ADORA3, ADORA2A DPP8 829/4885DPP9 657/4885DPP7 749/4885
US-20150306084-A1 ADENOSINE A1 AGONISTS FOR THE TREATMENT OF GLAUCOMA AND OCULAR HYPERTENSION ADORA1, ADORA3, ADORA2A DPP8 829/4885DPP9 657/4885DPP7 749/4885

“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.