SCHEMBL3922342

SCHEMBL3922342

CC#CCn1c(N2CCNCC2)nc2c1c(=O)n(Cc1cc(C)nc3ccccc13)c(=O)n2C

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.77
FAP Q12884 9/20 0.77
DPP9 Q86TI2 2/20 0.66
ALDH1A1 P00352 1/20 0.57
POU2F2 P09086 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
CHRM1 P11229 1/20 0.57
POU2F1 P14859 1/20 0.57
CHRM3 P20309 1/20 0.57
HRH2 P25021 1/20 0.57
MC4R P32245 1/20 0.57
DPP8 Q6V1X1 1/20 0.57
GHSR Q92847 1/20 0.57

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
SCHEMBL3928140 0.88 DPP4 (0.73) DPP4FAPDPP9ALDH1A1
SCHEMBL3927480 0.87 DPP4 (0.73) DPP4FAPDPP9CHRM1
SCHEMBL1772451 0.87 DPP4 (1.00) DPP4FAPDPP9POU2F2ADORA3
SCHEMBL3922620 0.87 DPP4 (0.77) DPP4FAPDPP9POU2F2ADORA3
SCHEMBL3971924 0.84 DPP4 (0.80) DPP4FAPDPP9POU2F2ADORA3
SCHEMBL3971922 0.84 DPP4 (0.80) DPP4FAPDPP9POU2F2ADORA3
SCHEMBL3927350 0.84 DPP4 (0.73) DPP4FAPDPP9ALDH1A1
SCHEMBL1772851 0.84 DPP4 (0.94) DPP4FAPDPP9POU2F2ADORA3
SCHEMBL3917495 0.84 DPP4 (0.82) DPP4FAPDPP9POU2F2ADORA3
SCHEMBL3918579 0.84 DPP4 (0.72) DPP4FAPDPP9POU2F2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550455-B2 8-(piperazin-1yl)- and 8-([1,4]diazepan-1yl)-xanthines, the preparation thereof and their use as pharmaceutical composition BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-23 US disclosed
US-20050130985-A1 8-(piperazin-1yl)- and 8-([1,4]diazepan-1yl)-xanthines, the preparation thereof and their use as pharmaceutical composition BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-16 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-20050130985-A1 8-(piperazin-1yl)- and 8-([1,4]diazepan-1yl)-xanthines, the preparation thereof and their use as pharmaceutical composition DPP8, DPP4, DPP7 DPP4 2/4885FAP 22/4885DPP9 5/4885

“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.