SCHEMBL18930776

SCHEMBL18930776

CN1CC[C@H](NCC[C@@H](Cc2ccc(C#N)cc2)NC(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.43
KDM4D Q6B0I6 2/20 0.40
KCNA3 P22001 1/20 0.40
ACACB O00763 1/20 0.39
ATM Q13315 1/20 0.39
CTSK P43235 7/20 0.39
CTSS P25774 6/20 0.39
SSTR4 P31391 1/20 0.39
CACNA1F O60840 1/20 0.38
HTR1A P08908 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CNR1 P21554 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
SLC6A2 P23975 1/20 0.38
HRH2 P25021 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 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
SCHEMBL18930777 1.00 DRD2 (0.43) DRD2KDM4DKCNA3ACACBATM
SCHEMBL21170221 0.87 DRD2 (0.43) DRD2KDM4DACACBATMCTSK
SCHEMBL21144778 0.87 PRKAA2 (0.41) DRD2ACACBCACNA1FHTR1AADORA3
SCHEMBL21144779 0.87 PRKAA2 (0.41) DRD2ACACBCACNA1FHTR1AADORA3
SCHEMBL21144838 0.87 PRKAA2 (0.41) DRD2ACACBCACNA1FHTR1AADORA3
SCHEMBL21144836 0.87 PRKAA2 (0.41) DRD2ACACBCACNA1FHTR1AADORA3
SCHEMBL18930771 0.82 ATM (0.43) DRD2ATMCTSKCTSSHRH2
SCHEMBL21169944 0.81 CACNA1B (0.41) DRD2KDM4DACACBATMCTSK
SCHEMBL21676604 0.81 CACNA1B (0.41) DRD2KDM4DACACBATMCTSK
SCHEMBL18930526 0.81 CACNA1B (0.41) DRD2KDM4DACACBATMCTSK

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 4 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
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 DRD2 1585/4885KDM4D 398/4885KCNA3 3336/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L DRD2 1585/4885KDM4D 398/4885KCNA3 3336/4885

“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.