SCHEMBL18930736

SCHEMBL18930736

N#Cc1ccc(C[C@@H](N)CC(N)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.56
EPHX1 P07099 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
DPP7 Q9UHL4 3/20 0.44
FAP Q12884 2/20 0.44
DPP8 Q6V1X1 2/20 0.44
DPP9 Q86TI2 2/20 0.44
IDO1 P14902 2/20 0.44
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
GSK3B P49841 1/20 0.42
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
HTT P42858 1/20 0.41
CTBP2 P56545 1/20 0.41
CTSC P53634 1/20 0.40
KCNH2 Q12809 1/20 0.40
CYP2A6 P11509 1/20 0.40
TPH1 P17752 1/20 0.39
RAB9A P51151 1/20 0.39

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
Hydrochloric Acid SCHEMBL21144811 0.98 DPP4 (0.55) DPP4EPHX1LOXL2DPP7FAP
Hydrochloric Acid SCHEMBL21144809 0.98 DPP4 (0.55) DPP4EPHX1LOXL2DPP7FAP
SCHEMBL2035137 0.87 DPP4 (0.56) DPP4EPHX1LOXL2DPP7FAP
SCHEMBL2029499 0.87 DPP4 (0.56) DPP4EPHX1LOXL2DPP7FAP
SCHEMBL2029497 0.87 DPP4 (0.56) DPP4EPHX1LOXL2DPP7FAP
Hydrochloric Acid SCHEMBL18920694 0.85 DPP4 (0.55) DPP4EPHX1LOXL2DPP7FAP
Hydrochloric Acid SCHEMBL18920693 0.85 DPP4 (0.55) DPP4EPHX1LOXL2DPP7FAP
SCHEMBL21628944 0.81 DPP4 (0.52) DPP4EPHX1LOXL2DPP7FAP
SCHEMBL18920506 0.81 DPP4 (0.52) DPP4EPHX1LOXL2DPP7FAP
SCHEMBL21169928 0.81 DPP4 (0.52) DPP4LOXL2DPP7FAPDPP8

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 7 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
WO-2017093272-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-08 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 (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 3896/4885EPHX1 3656/4885LOXL2 3917/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L DPP4 3896/4885EPHX1 3656/4885LOXL2 3917/4885

“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.