SCHEMBL21144903

SCHEMBL21144903

CN1CCC(CNCCC(Cc2ccc(C#N)cc2)NC(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.42
ITK Q08881 1/20 0.42
ACACB O00763 1/20 0.41
ERG P11308 2/20 0.41
SLC1A2 P43004 2/20 0.40
SLC1A3 P43003 1/20 0.40
KCNH2 Q12809 1/20 0.40
CYP3A4 P08684 1/20 0.40
VNN1 O95497 1/20 0.39
NAMPT P43490 2/20 0.39
YAP1 P46937 1/20 0.39
EP300 Q09472 2/20 0.39
CYP2C9 P11712 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
FASN P49327 1/20 0.38
CCR3 P51677 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
DPP4 P27487 1/20 0.38
FAP Q12884 1/20 0.38
DPP8 Q6V1X1 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
SCHEMBL21144901 1.00 GPBAR1 (0.42) GPBAR1ITKACACBERGSLC1A2
SCHEMBL21676650 0.87 ITK (0.41) GPBAR1ITKACACBERGSLC1A2
SCHEMBL21170221 0.87 DRD2 (0.43) GPBAR1ITKACACBERGSLC1A2
SCHEMBL21144836 0.86 PRKAA2 (0.41) GPBAR1ACACBERGSLC1A2SLC1A3
SCHEMBL21144779 0.86 PRKAA2 (0.41) GPBAR1ACACBERGSLC1A2SLC1A3
SCHEMBL21144778 0.86 PRKAA2 (0.41) GPBAR1ACACBERGSLC1A2SLC1A3
SCHEMBL21144838 0.86 PRKAA2 (0.41) GPBAR1ACACBERGSLC1A2SLC1A3
SCHEMBL18920603 0.82 DPP4 (0.41) GPBAR1ITKACACBERGSLC1A2
SCHEMBL21144685 0.82 KCNH2 (0.46) GPBAR1ACACBSLC1A2SLC1A3KCNH2
SCHEMBL21144688 0.82 KCNH2 (0.46) GPBAR1ACACBSLC1A2SLC1A3KCNH2

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 GPBAR1 4505/4885ITK 4406/4885ACACB 840/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L GPBAR1 4505/4885ITK 4406/4885ACACB 840/4885

“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.