SCHEMBL684552

SCHEMBL684552

CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nccc(C)n1)c(=O)n2C

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.62
CHRM1 P11229 5/20 0.60
POU2F2 P09086 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
POU2F1 P14859 1/20 0.60
CHRM3 P20309 1/20 0.60
HRH2 P25021 1/20 0.60
MC4R P32245 1/20 0.60
FAP Q12884 1/20 0.60
DPP8 Q6V1X1 1/20 0.60
DPP9 Q86TI2 1/20 0.60
GHSR Q92847 1/20 0.60

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
SCHEMBL196580 0.90 DPP4 (0.77) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL196579 0.90 DPP4 (0.77) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL12420706 0.90 DPP4 (0.61) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL24509136 0.88 DPP4 (0.62) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL11910975 0.86 DPP4 (0.83) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL2949897 0.84 DPP4 (0.83) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL8215317 0.84 DPP4 (0.48) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL7002881 0.83 DPP4 (0.65) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL12650056 0.82 DPP4 (0.68) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL11910982 0.82 DPP4 (0.65) DPP4CHRM1POU2F2ADORA3POU2F1

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
EP-2277509-B1 DPP IV inhibitor formulations BOEHRINGER INGELHEIM PHARMA (DE) 2015-03-11 EP disclosed
US-20120165251-A1 Diabetes therapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20120122776-A1 DPP-IV INHIBITORS FOR TREATMENT OF DIABETES IN PEDIATRIC PATIENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-17 US disclosed
US-20110275561-A1 Treatment for diabetes in patients with insufficient glycemic control despite therapy with an oral or non-oral antidiabetic drug BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 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-20110275561-A1 Treatment for diabetes in patients with insufficient glycemic control despite therapy with an oral or non-oral antidiabetic drug DPP4, DPP3, DPP7 DPP4 1/4885CHRM1 4775/4885POU2F2 2002/4885
US-20120165251-A1 Diabetes therapy DPP4, DPP3, DPP7 DPP4 1/4885CHRM1 2895/4885POU2F2 2348/4885
US-20120122776-A1 DPP-IV INHIBITORS FOR TREATMENT OF DIABETES IN PEDIATRIC PATIENTS DPP4, DPP3, DPP7 DPP4 1/4885CHRM1 4813/4885POU2F2 1921/4885

“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.