SCHEMBL23680921

SCHEMBL23680921

COc1ccnc(C(=O)N[C@@H](C)C(=O)OC2CCC2(c2ccccc2)c2ccccc2)c1O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.38
ADRA1D P25100 6/20 0.38
ADRA1B P35368 5/20 0.38
ADRA1A P35348 4/20 0.38
KCNA3 P22001 7/20 0.37
CTSA P10619 1/20 0.34
BBOX1 O75936 2/20 0.32
EGLN1 Q9GZT9 2/20 0.32
ATM Q13315 1/20 0.32
FTO Q9C0B1 1/20 0.32
TACR1 P25103 1/20 0.32

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
SCHEMBL29501726 1.00 HTR1A (0.38) HTR1AADRA1DADRA1BADRA1AKCNA3
SCHEMBL29501779 0.92 KCNA3 (0.31) HTR1AADRA1DADRA1BADRA1AKCNA3
SCHEMBL23672521 0.92 KCNA3 (0.31) HTR1AADRA1DADRA1BADRA1AKCNA3
SCHEMBL23672523 0.92 KCNA3 (0.31) HTR1AADRA1DADRA1BADRA1AKCNA3
SCHEMBL23680928 0.91 TP53 (0.34) HTR1AADRA1DADRA1BADRA1AATM
SCHEMBL29501780 0.91 TP53 (0.34) HTR1AADRA1DADRA1BADRA1AATM
SCHEMBL23680929 0.91 MET (0.33) HTR1AADRA1DADRA1BADRA1AKCNA3
SCHEMBL29501723 0.91 MET (0.33) HTR1AADRA1DADRA1BADRA1AKCNA3
SCHEMBL23680932 0.90 MEN1 (0.37)
SCHEMBL23680945 0.90 EGFR (0.34) HTR1AADRA1DADRA1BADRA1AKCNA3

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-20210227826-A1 Microbiocidal Picolinamide Derivatives SYNGENTA PARTICIPATIONS AG (CH) 2021-07-29 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-20210227826-A1 Microbiocidal Picolinamide Derivatives CASP2, CASP1, MSR1 HTR1A 1944/4885ADRA1D 3264/4885ADRA1B 3416/4885

“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.