SCHEMBL21169985

SCHEMBL21169985

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.42
ATM Q13315 1/20 0.42
CTSS P25774 6/20 0.41
CTSK P43235 5/20 0.41
DPP4 P27487 1/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
ACACB O00763 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
DRD2 P14416 1/20 0.38
PTPN1 P18031 1/20 0.38
APP P05067 1/20 0.38
SCN7A Q01118 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL18930496 0.92 FPR1 (0.43) P2RX7ATMCTSSCTSKDPP4
SCHEMBL18930596 0.89 CTSS (0.47) P2RX7ATMCTSSCTSKDPP4
SCHEMBL21676639 0.86 KDM1A (0.42) P2RX7DPP4KDM1AMAOBACACB
SCHEMBL18930771 0.86 ATM (0.43) P2RX7ATMCTSSCTSKCTSL
SCHEMBL18930522 0.86 ATM (0.43) P2RX7ATMCTSSCTSKCTSL
SCHEMBL21144739 0.85 DPP4 (0.46) DPP4KDM1AMAOBACACBSCN7A
SCHEMBL21144741 0.85 DPP4 (0.46) DPP4KDM1AMAOBACACBSCN7A
SCHEMBL22303692 0.84 P2RX7 (0.57) P2RX7CTSSCTSKKDM1ACTSL
SCHEMBL22338765 0.84 P2RX7 (0.57) P2RX7CTSSCTSKKDM1ACTSL
SCHEMBL21144936 0.82 ATM (0.52) ATMCTSSCTSKCTSLCTSB

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 3 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
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

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 P2RX7 3268/4885ATM 346/4885CTSS 3972/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L P2RX7 3268/4885ATM 346/4885CTSS 3972/4885

“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.