SCHEMBL21144874

SCHEMBL21144874

CN1CCN(C(=O)C[C@H](N)Cc2ccc(C#N)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.67
DPP7 Q9UHL4 6/20 0.51
KDM1A O60341 1/20 0.46
MAOB P27338 1/20 0.46
CYP3A4 P08684 1/20 0.44
FAP Q12884 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44

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
SCHEMBL21144876 1.00 DPP4 (0.67) DPP4DPP7KDM1AMAOBCYP3A4
SCHEMBL21144965 0.88 DPP4 (0.72) DPP4DPP7FAPDPP8DPP9
SCHEMBL21144962 0.88 DPP4 (0.72) DPP4DPP7FAPDPP8DPP9
SCHEMBL21144954 0.85 DPP4 (0.67) DPP4DPP7FAPDPP8DPP9
SCHEMBL21144953 0.85 DPP4 (0.67) DPP4DPP7FAPDPP8DPP9
SCHEMBL21144739 0.81 DPP4 (0.46) DPP4KDM1AMAOB
SCHEMBL21144741 0.81 DPP4 (0.46) DPP4KDM1AMAOB
SCHEMBL18390266 0.80 MAPT (0.62) KDM1AMAOB
SCHEMBL18930743 0.78 KCNJ1 (0.50) DPP4DPP7FAPDPP8DPP9
Hydrochloric Acid SCHEMBL21144686 0.76 KCNH2 (0.49) DPP4DPP7FAPDPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-19 US disclosed
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-19 US disclosed
EP-3383865-B1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 Bayer Pharma AG (DE) 2020-01-29 EP disclosed
EP-3383865-B1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 Bayer Pharma AG (DE) 2020-01-29 EP disclosed
US-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-07-18 US disclosed
US-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-07-18 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 (2 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-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 ATAD2, ATAD2B, TAF1L DPP4 3896/4885DPP7 3032/4885KDM1A 221/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L DPP4 3896/4885DPP7 3032/4885KDM1A 221/4885

“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.