SCHEMBL17833230

SCHEMBL17833230

CCN1CCn2cnc(C)c2C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.32
CHRNA7 P36544 1/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
TLR7 Q9NYK1 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL19703218 0.81 GABRG2 (0.35) CHRNA7GABRG2GABRB3GABRA5
SCHEMBL22278030 0.81 GAA (0.35) ALDH1A1KMT2ATLR7
SCHEMBL22597905 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL21998466 0.73 GABRG2 (0.31) GABRG2GABRB3GABRA5
SCHEMBL21897625 0.73 GABRG2 (0.31) GABRG2GABRB3GABRA5
SCHEMBL21432426 0.70 GABRG2 (0.33) GABRG2GABRB3GABRA5
SCHEMBL17833064 0.69 DRD3 (0.42) ALDH1A1KMT2ACHRNA7
SCHEMBL22854641 0.66 HSD17B10 (0.47) ALDH1A1KMT2AGABRG2GABRB3GABRA5
SCHEMBL6369633 0.66 SCD (0.36) ALDH1A1CHRNA7
SCHEMBL2760180 0.66 NAMPT (0.33) ALDH1A1CHRNA7TLR7HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022247770-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海璎黎药业有限公司 2022-12-01 WO disclosed
US-20190142941-A1 BCL-XL Inhibitory Compounds Having Low Cell Permeability and Antibody Drug Conjugates Including the Same ABBVIE INC (US) 2019-05-16 US disclosed
WO-2017214335-A1 ANTI-B7-H3 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. (US) 2017-12-14 WO disclosed
WO-2016094509-A1 BCL XL INHIBITORY COMPOUNDS HAVING LOW CELL PERMEABILITY AND ANTIBODY DRUG CONJUGATES INCLUDING THE SAME ABBVIE INC. (US) 2016-06-16 WO 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-20190142941-A1 BCL-XL Inhibitory Compounds Having Low Cell Permeability and Antibody Drug Conjugates Including the Same BCL2, BAX, BCL9 ALDH1A1 2826/4885KMT2A 2470/4885CHRNA7 4792/4885

“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.