SCHEMBL10067751

SCHEMBL10067751

CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc3ccccc3cc1C#N)c(=O)n2C

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.64
CHRM1 P11229 2/20 0.61
POU2F2 P09086 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
POU2F1 P14859 1/20 0.58
CHRM3 P20309 1/20 0.58
HRH2 P25021 1/20 0.58
MC4R P32245 1/20 0.58
FAP Q12884 1/20 0.58
DPP8 Q6V1X1 1/20 0.58
DPP9 Q86TI2 1/20 0.58
GHSR Q92847 1/20 0.58

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
SCHEMBL19154444 0.93 DPP4 (0.61) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL195762 0.92 DPP4 (0.74) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL195761 0.92 DPP4 (0.74) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL24509039 0.90 DPP4 (0.61) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL18708107 0.89 DPP4 (0.58) DPP4CHRM1
SCHEMBL13945340 0.87 DPP4 (0.51) DPP4CHRM1
SCHEMBL13945565 0.86 DPP4 (0.49) DPP4CHRM1
SCHEMBL685384 0.86 DPP4 (0.84) DPP4
SCHEMBL8206959 0.86 DPP4 (0.54) DPP4
SCHEMBL2609251 0.86 DPP4 (0.68) DPP4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2990037-A1 TREATMENT FOR DIABETES IN PATIENTS INAPPROPRIATE FOR METFORMIN THERAPY Boehringer Ingelheim International GmbH (DE) 2016-03-02 EP disclosed
US-20120165251-A1 Diabetes therapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20110301182-A1 Treatment for diabetes in patients with inadequate glycemic control despite metformin therapy comprising a DPP-IV inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-08 US disclosed
US-20110263617-A1 Combination therapy for the treatment of diabetes and related conditions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110112069-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 US disclosed
US-20110098240-A1 PHARMACEUTICAL COMPOSITION COMPRISING A SGLT2 INHIBITOR IN COMBINATION WITH A DPP-IV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 US disclosed
US-20110092510-A1 DPP-IV INHIBITORS FOR USE IN THE TREATMENT OF NAFLD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-21 US disclosed
US-20110065731-A1 USES OF DPP-IV INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-17 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 (7 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-20110092510-A1 DPP-IV INHIBITORS FOR USE IN THE TREATMENT OF NAFLD DPP4, DPP3, DPP7 DPP4 1/4885CHRM1 3696/4885POU2F2 3277/4885
US-20120165251-A1 Diabetes therapy DPP4, DPP3, DPP7 DPP4 1/4885CHRM1 2895/4885POU2F2 2348/4885
US-20110065731-A1 USES OF DPP-IV INHIBITORS DPP4, DPP3, DPP7 DPP4 1/4885CHRM1 2215/4885POU2F2 3160/4885
US-20110301182-A1 Treatment for diabetes in patients with inadequate glycemic control despite metformin therapy comprising a DPP-IV inhibitor DPP4, DPP3, DPP7 DPP4 1/4885CHRM1 4759/4885POU2F2 981/4885
US-20110263617-A1 Combination therapy for the treatment of diabetes and related conditions GPR119, DPP4, GLP1R DPP4 2/4885CHRM1 3049/4885POU2F2 1737/4885
US-20110098240-A1 PHARMACEUTICAL COMPOSITION COMPRISING A SGLT2 INHIBITOR IN COMBINATION WITH A DPP-IV INHIBITOR SLC5A1, SLC5A2, DPP4 DPP4 3/4885CHRM1 3573/4885POU2F2 2807/4885
US-20110112069-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES PNP, PURB, NUDT14 DPP4 3263/4885CHRM1 4301/4885POU2F2 1051/4885

“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.