SCHEMBL20002702

SCHEMBL20002702

CC(C)(C)OC(=O)N1C[C@@H](c2cc(F)cc(F)c2F)CC1C#N

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.41
DPP8 Q6V1X1 4/20 0.41
DPP9 Q86TI2 4/20 0.41
DPP7 Q9UHL4 4/20 0.41
FAP Q12884 3/20 0.41
RIPK1 Q13546 1/20 0.41
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
AR P10275 4/20 0.37
HCAR2 Q8TDS4 2/20 0.35
NR3C2 P08235 1/20 0.34
HCRTR2 O43614 2/20 0.34
GPR119 Q8TDV5 2/20 0.34
PREP P48147 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL20002704 1.00 DPP4 (0.41) DPP4DPP8DPP9DPP7FAP
SCHEMBL20002185 0.84 DPP4 (0.39) DPP4DPP8DPP9DPP7FAP
SCHEMBL20002184 0.84 DPP4 (0.39) DPP4DPP8DPP9DPP7FAP
SCHEMBL21135782 0.84 DPP4 (0.39) DPP4DPP8DPP9DPP7FAP
SCHEMBL19995995 0.84 DPP4 (0.39) DPP4DPP8DPP9DPP7FAP
SCHEMBL20002191 0.84 RIPK1 (0.44) DPP4RIPK1NR1H2NR1H3HCAR2
SCHEMBL21052968 0.84 DPP4 (0.39) DPP4DPP8DPP9DPP7FAP
SCHEMBL19995929 0.82 DPP4 (0.47) DPP4DPP8DPP9DPP7FAP
SCHEMBL21527857 0.80 DPP4 (0.39) DPP4DPP8DPP9DPP7FAP
SCHEMBL21527858 0.80 DPP4 (0.39) DPP4DPP8DPP9DPP7FAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034695-B2 Dopamine-β-hydroxylase inhibitors BIAL—Portela & Cᵃ, S.A. (PT) 2021-06-15 US disclosed
US-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors BIAL—PORTELA & CA, S.A. (PT) 2021-04-13 US disclosed
US-20200181148-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL-PORTELA & CA, S.A. (PT) 2020-06-11 US disclosed
WO-2018056854-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2018-03-29 WO disclosed
WO-2018056855-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2018-03-29 WO 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-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors DBH, SLC6A3, SLC6A2 DPP4 680/4885DPP8 801/4885DPP9 512/4885
US-20200181148-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, MAOB, SLC6A3 DPP4 1161/4885DPP8 1834/4885DPP9 1697/4885
US-11034695-B2 Dopamine-β-hydroxylase inhibitors DBH, SLC6A3, COMT DPP4 877/4885DPP8 1449/4885DPP9 1423/4885

“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.