SCHEMBL21169944

SCHEMBL21169944

C[C@@H]1CN(C)CCN1CC[C@@H](Cc1ccc(C#N)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
ATM Q13315 1/20 0.40
CTSS P25774 7/20 0.40
CTSK P43235 6/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
DRD2 P14416 1/20 0.39
APP P05067 3/20 0.38
P2RX7 Q99572 1/20 0.38
PTPN1 P18031 1/20 0.37
ACACB O00763 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL21676604 1.00 CACNA1B (0.41) CACNA1BGPR119ATMCTSSCTSK
SCHEMBL18930526 1.00 CACNA1B (0.41) CACNA1BGPR119ATMCTSSCTSK
SCHEMBL21144653 0.86 SLC1A2 (0.39) CACNA1BACACBHRH3
SCHEMBL21144867 0.86 SLC1A2 (0.39) CACNA1BACACBHRH3
SCHEMBL21144654 0.86 SLC1A2 (0.39) CACNA1BACACBHRH3
SCHEMBL21144866 0.86 SLC1A2 (0.39) CACNA1BACACBHRH3
SCHEMBL18930771 0.85 ATM (0.43) ATMCTSSCTSKCTSLCTSB
SCHEMBL21144689 0.82 ATM (0.40) GPR119ATMCTSSCTSKCTSL
SCHEMBL21144891 0.82 ATM (0.40) GPR119ATMCTSSCTSKCTSL
SCHEMBL21144687 0.82 ATM (0.40) GPR119ATMCTSSCTSKCTSL

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-10654818-B2 Furane derivatives as inhibitors of ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-19 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 CACNA1B 2110/4885GPR119 3552/4885ATM 346/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L CACNA1B 2110/4885GPR119 3552/4885ATM 346/4885

“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.