SCHEMBL4668917

SCHEMBL4668917

Cn1c(=O)c2c(nc(N3CCC(NC(=O)OC(C)(C)C)C3)n2Cc2ccccc2Br)n(C)c1=O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 13/20 0.61
▸ MAOB P27338 3/20 0.49
▸ ADORA2A P29274 3/20 0.49
▸ PCSK9 Q8NBP7 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ TSHR P16473 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ MAPK1 P28482 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL637720 0.95 DPP4 (0.67) DPP4MAOBADORA2APCSK9ALDH1A1
SCHEMBL4780529 0.91 DPP4 (0.55) DPP4ALDH1A1TSHRLMNAMAPT
SCHEMBL4667139 0.90 DPP4 (0.61) DPP4ALDH1A1TSHRLMNAMAPT
SCHEMBL4667088 0.89 DPP4 (0.64) DPP4ALDH1A1TSHRLMNAMAPT
SCHEMBL4669820 0.87 DPP4 (0.61) DPP4ADORA2AALDH1A1TSHRLMNA
SCHEMBL1542658 0.86 DPP4 (0.61) DPP4ALDH1A1TSHRLMNAMAPT
SCHEMBL4669750 0.86 DPP4 (0.66) DPP4ALDH1A1TSHRLMNAMAPT
SCHEMBL638954 0.83 DPP4 (0.73) DPP4
SCHEMBL4668737 0.80 DPP4 (0.71) DPP4MAOBADORA2AALDH1A1TSHR
SCHEMBL4076753 0.80 DPP4 (0.71) DPP4MAOBADORA2AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496877-B1 METHOD AND COMPOSITION FOR TREATMENT OF DIABETES, HYPERTENSION, CHRONIC HEART FAILURE AND FLUID RETENTIVE STATES NOVO NORDISK AS (DK) 2008-10-01 — — EP disclosed
EP-1404675-B1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK AS (DK) 2008-03-12 — — EP disclosed
US-20070197552-A1 Method and composition for treatment of diabetes, hypertension, chronic heart failure and fluid retentive states NOVO NORDISK A/S (DK) 2007-08-23 — — US disclosed
US-7192952-B2 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK, A/S (DK) 2007-03-20 — — US 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
EP-1496877-A2 METHOD AND COMPOSITION FOR TREATMENT OF DIABETES, HYPERTENSION, CHRONIC HEART FAILURE AND FLUID RETENTIVE STATES NOVO NORDISK A/S (DK) 2005-01-19 — — EP 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-20030236272-A1 Method and composition for treatment of diabetes, hypertension, chronic heart failure and fluid retentive states NOVO NORDISK A/S (DK) 2003-12-25 — — US disclosed
WO-2003057200-A2 COMPOSITIONS COMPRISING INHIBITORS OF DPP-IV AND NEP ENZYMES FOR THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2003-07-17 — — WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 1/4885MAOB 515/4885ADORA2A 2267/4885
US-20030105077-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 DPP4 1/4885MAOB 778/4885ADORA2A 2420/4885
US-20030236272-A1 Method and composition for treatment of diabetes, hypertension, chronic heart failure and fluid retentive states DPP4, GIPR, GLP1R DPP4 1/4885MAOB 2784/4885ADORA2A 2945/4885
US-20070197552-A1 Method and composition for treatment of diabetes, hypertension, chronic heart failure and fluid retentive states DPP4, GIPR, GLP1R DPP4 1/4885MAOB 2784/4885ADORA2A 2945/4885

“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.

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