SCHEMBL21144836

SCHEMBL21144836

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 3/20 0.41
ACACB O00763 1/20 0.41
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
CACNA1F O60840 1/20 0.40
HTR1A P08908 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
DRD2 P14416 1/20 0.40
CNR1 P21554 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
SLC6A2 P23975 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40

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
SCHEMBL21144778 1.00 PRKAA2 (0.41) PRKAA2ACACBHRH2HRH1CACNA1F
SCHEMBL21144838 1.00 PRKAA2 (0.41) PRKAA2ACACBHRH2HRH1CACNA1F
SCHEMBL21144779 1.00 PRKAA2 (0.41) PRKAA2ACACBHRH2HRH1CACNA1F
SCHEMBL18930777 0.87 DRD2 (0.43) PRKAA2ACACBHRH2HRH1CACNA1F
SCHEMBL18930776 0.87 DRD2 (0.43) PRKAA2ACACBHRH2HRH1CACNA1F
SCHEMBL21676370 0.86 HRH2 (0.38) PRKAA2ACACBHRH2HRH1CACNA1F
SCHEMBL21144901 0.86 GPBAR1 (0.42) ACACBPIN1EP300GPBAR1SLC1A2
SCHEMBL21144903 0.86 GPBAR1 (0.42) ACACBPIN1EP300GPBAR1SLC1A2
SCHEMBL21676499 0.81 DPP4 (0.39) PRKAA2ACACBHRH2HRH1HTR1A
SCHEMBL18930222 0.81 DPP4 (0.39) PRKAA2ACACBHRH2HRH1HTR1A

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 PRKAA2 1670/4885ACACB 840/4885HRH2 2285/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L PRKAA2 1670/4885ACACB 840/4885HRH2 2285/4885

“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.