SCHEMBL21169852

SCHEMBL21169852

C[C@H]1CN(CC[C@@H](Cc2ccc(C#N)cc2)NC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.42
P2RX7 Q99572 1/20 0.39
DRD2 P14416 1/20 0.38
AR P10275 1/20 0.38
ATM Q13315 1/20 0.38
CTSS P25774 6/20 0.38
CTSK P43235 5/20 0.38
PDK1 Q15118 2/20 0.37
PDK2 Q15119 2/20 0.37
PDK3 Q15120 2/20 0.37
PDK4 Q16654 2/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
MC4R P32245 1/20 0.36
RET P07949 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
SCHEMBL18930773 1.00 GPR119 (0.42) GPR119P2RX7DRD2ARATM
SCHEMBL21144891 0.93 ATM (0.40) GPR119P2RX7DRD2ATMCTSS
SCHEMBL21144890 0.93 ATM (0.40) GPR119P2RX7DRD2ATMCTSS
SCHEMBL21144689 0.93 ATM (0.40) GPR119P2RX7DRD2ATMCTSS
SCHEMBL21144687 0.93 ATM (0.40) GPR119P2RX7DRD2ATMCTSS
SCHEMBL21676640 0.86 GPR119 (0.45) GPR119P2RX7DRD2ARPDK1
SCHEMBL18930771 0.86 ATM (0.43) P2RX7DRD2ATMCTSSCTSK
SCHEMBL21676604 0.82 CACNA1B (0.41) GPR119P2RX7DRD2ATMCTSS
SCHEMBL21169944 0.82 CACNA1B (0.41) GPR119P2RX7DRD2ATMCTSS
SCHEMBL18930526 0.82 CACNA1B (0.41) GPR119P2RX7DRD2ATMCTSS

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 GPR119 3552/4885P2RX7 3268/4885DRD2 1585/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L GPR119 3552/4885P2RX7 3268/4885DRD2 1585/4885

“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.