SCHEMBL21170221

SCHEMBL21170221

CN1CCC(CNCC[C@@H](Cc2ccc(C#N)cc2)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
ATM Q13315 1/20 0.41
ITK Q08881 1/20 0.41
ACACB O00763 1/20 0.39
CTSS P25774 6/20 0.39
CTSK P43235 5/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
GPBAR1 Q8TDU6 2/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
ERG P11308 1/20 0.38
CYP2C9 P11712 1/20 0.38
KDM4D Q6B0I6 1/20 0.37
SLC1A2 P43004 1/20 0.37
KCNH2 Q12809 1/20 0.37
ACE P12821 1/20 0.37
SSTR4 P31391 1/20 0.37
P2RX7 Q99572 1/20 0.37

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
SCHEMBL18930776 0.87 DRD2 (0.43) DRD2ATMACACBCTSSCTSK
SCHEMBL18930777 0.87 DRD2 (0.43) DRD2ATMACACBCTSSCTSK
SCHEMBL21144901 0.87 GPBAR1 (0.42) ITKACACBGPBAR1ERGCYP2C9
SCHEMBL21144903 0.87 GPBAR1 (0.42) ITKACACBGPBAR1ERGCYP2C9
SCHEMBL18930771 0.84 ATM (0.43) DRD2ATMCTSSCTSKCTSL
SCHEMBL21676650 0.82 ITK (0.41) ITKACACBGPBAR1ERGCYP2C9
SCHEMBL18930522 0.82 ATM (0.43) DRD2ATMCTSSCTSKCTSL
SCHEMBL18930526 0.81 CACNA1B (0.41) DRD2ATMACACBCTSSCTSK
SCHEMBL21169944 0.81 CACNA1B (0.41) DRD2ATMACACBCTSSCTSK
SCHEMBL21676604 0.81 CACNA1B (0.41) DRD2ATMACACBCTSSCTSK

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 DRD2 1585/4885ATM 346/4885ITK 4406/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L DRD2 1585/4885ATM 346/4885ITK 4406/4885

“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.