SCHEMBL14978004

SCHEMBL14978004

CC(C)(C)OC(=O)[C@@H](N)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.36
NOS1 P29475 2/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
ALOX5 P09917 1/20 0.35
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
AAK1 Q2M2I8 1/20 0.32
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
BTK Q06187 1/20 0.31

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
SCHEMBL31564804 1.00 DPP4 (0.36) DPP4NOS1NOS3NOS2ALOX5
SCHEMBL3644550 0.93 DPP4 (0.39) DPP4NOS1NOS3NOS2ALOX5
SCHEMBL3187231 0.93 DPP4 (0.40) DPP4NOS1NOS3NOS2ALOX5
SCHEMBL8487787 0.93 DPP4 (0.40) DPP4NOS1NOS3NOS2ALOX5
SCHEMBL27570839 0.92 DPP4 (0.41) DPP4BTK
SCHEMBL12374491 0.90 DPP4 (0.44) DPP4
SCHEMBL15129485 0.90 DPP4 (0.44) DPP4
SCHEMBL27696070 0.90 DPP4 (0.44) DPP4
Hydrochloric Acid SCHEMBL6438617 0.90 DPP4 (0.40) DPP4BTK
Hydrochloric Acid SCHEMBL27551179 0.90 DPP4 (0.40) DPP4BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493505-B2 Macrocyclic modulators of the ghrelin receptor OCERA THERAPEUTICS, INC. (US) 2016-11-15 US disclosed
US-20150266920-A1 MACROCYCLIC KETOAMIDE IMMUNOPROTEASOME INHIBITORS HOFFMANN-LA ROCHE INC. 2015-09-24 US disclosed
EP-2906582-A1 MACROCYCLIC KETOAMIDE IMMUNOPROTEASOME INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-08-19 EP disclosed
US-20150148290-A1 Macrocyclic Modulators of the Ghrelin Receptor MALLINCKRODT LLC 2015-05-28 US disclosed
WO-2014056954-A1 MACROCYCLIC KETOAMIDE IMMUNOPROTEASOME INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-04-17 WO disclosed
US-8450268-B2 Methods of using macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. (CA) 2013-05-28 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 (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-20150148290-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR DPP4 1100/4885NOS1 1861/4885NOS3 1595/4885
US-20150266920-A1 MACROCYCLIC KETOAMIDE IMMUNOPROTEASOME INHIBITORS PSMB7, PSMC2, PSMB8 DPP4 1860/4885NOS1 4031/4885NOS3 3593/4885

“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.