SCHEMBL21117698

SCHEMBL21117698

CC(C)(C)N1CCc2cc(CC(C)(C)N3Cc4cccnc4C3=O)cnc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.35
HTR1A P08908 10/20 0.32
HTR2A P28223 10/20 0.32
DRD2 P14416 7/20 0.32
MTNR1A P48039 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL803066 0.79 HTR1A (0.40) ADAM17HTR1AHTR2ADRD2CNR1
SCHEMBL803049 0.76 ADAM17 (0.45) ADAM17HTR1AHTR2ADRD2
SCHEMBL25597828 0.71 ALOX15 (0.38)
SCHEMBL25597830 0.70 DRD2 (0.36) HTR1AHTR2ADRD2
SCHEMBL12049049 0.66 MTNR1A (0.43) HTR1AHTR2ADRD2MTNR1A
SCHEMBL22021891 0.63
SCHEMBL11947839 0.63 HTR1A (0.46) ADAM17HTR1AHTR2ADRD2
SCHEMBL11947805 0.63 ADAM17 (0.54) ADAM17HTR1AHTR2ADRD2
SCHEMBL21117711 0.62 HTR2A (0.35) HTR2AMTNR1A
SCHEMBL12230597 0.62 CRBN (0.38) ADAM17MTNR1A

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-10669242-B2 Clostridium difficile toxin inhibitors Venenum Biodesign, LLC (US) 2020-06-02 US disclosed
US-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors Venenum Biodesign, LLC (US) 2019-06-27 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-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors GABRA5, GABRA1, GABRA4 ADAM17 241/4885HTR1A 842/4885HTR2A 1936/4885
US-10669242-B2 Clostridium difficile toxin inhibitors GABRA5, GABRA1, GABBR2 ADAM17 145/4885HTR1A 593/4885HTR2A 1420/4885

“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.