Sugi Predict

Sugi Predict / Compounds / SCHEMBL3551736

SCHEMBL3551736

SCHEMBL3551736

CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1ccc3ncccc3n1)c(=O)n2-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.64
▸ CHRM1 P11229 3/20 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
SCHEMBL3551741 1.00 DPP4 (0.64) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL196239 0.91 DPP4 (0.75) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL196238 0.91 DPP4 (0.75) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL3548514 0.90 DPP4 (0.63) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL3548507 0.90 DPP4 (0.63) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL3551233 0.89 DPP4 (0.67) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL3551230 0.89 DPP4 (0.67) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL3552254 0.88 DPP4 (0.66) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL3552247 0.88 DPP4 (0.66) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL3540250 0.87 DPP4 (0.69) 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
US-7645763-B2 dipeptidylpeptidase-IV inhibitors; antidiabetic agents, antiarthritic agents, obesity, allograft transplantation, and osteoporosis caused by calcitonin; 1,3-disubstituted-7-(2-butyn-1-yl)-8-(3-aminopiperidin-1-yl)-xanthine compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-01-12 — — US claimed
US-20050187227-A1 8-[3-Amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical composition BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-25 — — US claimed
US-7645763-B2 dipeptidylpeptidase-IV inhibitors; antidiabetic agents, antiarthritic agents, obesity, allograft transplantation, and osteoporosis caused by calcitonin; 1,3-disubstituted-7-(2-butyn-1-yl)-8-(3-aminopiperidin-1-yl)-xanthine compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-01-12 — — US disclosed
US-20050187227-A1 8-[3-Amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical composition BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-25 — — 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 (1 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-20050187227-A1 8-[3-Amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical composition DPP8, DPP4, DPP7 DPP4 2/4885CHRM1 780/4885POU2F2 2600/4885

“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.