SCHEMBL20176642

SCHEMBL20176642

CNC(=O)CCCN(CCOc1ccc(I)cn1)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.34
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
P2RY12 Q9H244 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
SSTR4 P31391 1/20 0.31
HTR4 Q13639 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
ATM Q13315 1/20 0.31
ACACB O00763 1/20 0.31
GFER P55789 1/20 0.31

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
SCHEMBL21554108 0.87 PDE3B (0.33) CA14PDE3BPDE3AP2RY12SSTR4
SCHEMBL20176320 0.81 SSTR4 (0.30) SSTR4
SCHEMBL18295981 0.80 SSTR4 (0.31) SSTR4ATM
SCHEMBL20176400 0.79 ATM (0.33) CA14SSTR4ATM
SCHEMBL20173486 0.77 SSTR4 (0.31) SSTR4ACACB
SCHEMBL20163447 0.76 LSS (0.36) SSTR4
SCHEMBL20173480 0.76 CHEK2 (0.32) SSTR4
SCHEMBL19485524 0.75 LSS (0.31) SSTR4
SCHEMBL20176312 0.74 LTA4H (0.37) PDE3BPDE3AP2RY12MTNR1AMTNR1B
SCHEMBL22149873 0.73 FDPS (0.31) SSTR4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2018-05-24 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 (1 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-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE BRCA1, ESR2, ESR1 CA14 2780/4885PDE3B 4768/4885PDE3A 4727/4885

“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.