SCHEMBL4669794

SCHEMBL4669794

Cn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2ccccc2)n(C)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 1.00
ALDH1A1 P00352 2/20 0.81
TSHR P16473 2/20 0.81
LMNA P02545 1/20 0.81
MAPT P10636 1/20 0.81
MAPK1 P28482 1/20 0.72
RECQL P46063 1/20 0.72
NPSR1 Q6W5P4 1/20 0.72
CHRM1 P11229 3/20 0.63
KCNH2 Q12809 1/20 0.62

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
SCHEMBL554515 1.00 DPP4 (1.00) DPP4ALDH1A1TSHRLMNAMAPT
SCHEMBL4074251 0.97 DPP4 (0.94) DPP4ALDH1A1TSHRLMNAMAPT
SCHEMBL556204 0.95 DPP4 (0.90) DPP4ALDH1A1TSHRLMNAMAPT
SCHEMBL4667057 0.95 DPP4 (0.90) DPP4ALDH1A1TSHRLMNAMAPT
SCHEMBL4667712 0.95 DPP4 (0.90) DPP4ALDH1A1TSHRLMNAMAPT
SCHEMBL555374 0.94 DPP4 (0.89) DPP4ALDH1A1TSHRLMNAMAPT
Hydrochloric Acid SCHEMBL5339031 0.94 DPP4 (0.88) DPP4ALDH1A1TSHRLMNAMAPT
SCHEMBL555521 0.92 DPP4 (0.85) DPP4ALDH1A1TSHRLMNAMAPT
SCHEMBL555972 0.92 DPP4 (0.85) DPP4ALDH1A1TSHRLMNAMAPT
SCHEMBL556913 0.92 DPP4 (0.85) DPP4ALDH1A1TSHRLMNAMAPT

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017184788-A1 ADMINISTRATION OF BUTYRATE, BETA-HYDROXYBUTYRATE, AND RELATED COMPOUNDS IN HUMANS Keto Patent Group, Inc. (US) 2017-10-26 WO claimed
US-20170296501-A1 ADMINISTRATION OF BUTYRATE, BETA-HYDROXYBUTYRATE, AND RELATED COMPOUNDS IN HUMANS AXCESS GLOBAL SCIENCES, LLC 2017-10-19 US claimed
US-7192952-B2 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK, A/S (DK) 2007-03-20 US claimed
US-20240226043-A1 ADMINISTRATION OF R-BETA-HYDROXYBUTYRATE AND RELATED COMPOUNDS IN HUMANS AXCESS GLOBAL SCIENCES, LLC 2024-07-11 US disclosed
US-11969411-B2 Administration of berberine metabolites AXCESS GLOBAL SCIENCES, LLC (US) 2024-04-30 US disclosed
EP-3445355-B1 BETA-HYDROXYBUTYRATE FOR USE IN NON-THERAPEUTIC METHODS OF CONTROLLING WEIGHT LOSS AND KETOTIS AXCESS GLOBAL SCIENCES LLC (US) 2023-11-29 EP disclosed
US-20230364042-A1 ADMINISTRATION OF BETA-HYDROXYBUTYRATE AND RELATED COMPOUNDS IN HUMANS FOR THE TREATMENT AND/OR PREVENTION OF RESPIRATORY ILLNESSES AXCESS GLOBAL SCIENCES, LLC 2023-11-16 US disclosed
US-20230346723-A1 ADMINISTRATION OF R-BETA-HYDROXYBUTYRATE AND RELATED COMPOUNDS IN HUMANS AXCESS GLOBAL SCIENCES, LLC 2023-11-02 US disclosed
US-20230346699-A1 ADMINISTRATION OF R-BETA-HYDROXYBUTYRATE AND RELATED COMPOUNDS IN VETERINARY APPLICATIONS AXCESS GLOBAL SCIENCES, LLC 2023-11-02 US disclosed
WO-2023212326-A1 ADMINISTRATION OF R-BETA-HYDROXYBUTYRATE AND RELATED COMPOUNDS IN VETERINARY APPLICATIONS AXCESS GLOBAL SCIENCES, LLC (US) 2023-11-02 WO disclosed
WO-2023212319-A1 ADMINISTRATION OF R-BETA-HYDROXYBUTYRATE SALT BLEND AND RELATED COMPOUNDS IN HUMANS AXCESS GLOBAL SCIENCES, LLC (US) 2023-11-02 WO disclosed
US-20050148606-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV KANSTRUP ANDERS B (DK) 2005-07-07 US disclosed
US-6869947-B2 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2005-03-22 US disclosed
WO-2004035773-A1 IMMOBILIZATION OF COMPOUNDS ON POLYMERIC MATRIX ENZYMOTEC LTD. (IL) 2004-04-29 WO disclosed
WO-2004033455-A2 HEMISUCCINATE SALTS OF HETEROCYCLIC DPP-IV INHIBITORS NOVO NORDISK A/S (DK) 2004-04-22 WO disclosed
WO-2004033455-A2 HEMISUCCINATE SALTS OF HETEROCYCLIC DPP-IV INHIBITORS NOVO NORDISK A/S (DK) 2004-04-22 WO disclosed
EP-1404675-A1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2004-04-07 EP disclosed
US-20030105077-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2003-06-05 US disclosed
WO-2003004496-A1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2003-01-16 WO disclosed
WO-2003004496-A1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2003-01-16 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-20050148606-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 DPP4 1/4885ALDH1A1 176/4885TSHR 3409/4885
US-20030105077-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 DPP4 1/4885ALDH1A1 55/4885TSHR 3634/4885

“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.