SCHEMBL23871900

SCHEMBL23871900

CCC(C)c1cnnn1C(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
MPO P05164 1/20 0.32
TOP2A P11388 1/20 0.32
HSD11B1 P28845 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
SCHEMBL20466830 0.86 SMN1; SMN2 (0.31)
SCHEMBL13153182 0.80 TOP2A (0.34) TOP2AHSD11B1
SCHEMBL19158185 0.77 TSHR (0.33) TSHR
SCHEMBL25008231 0.77 TOP2A (0.33) TOP2A
SCHEMBL25008010 0.77 TOP2A (0.33) TOP2A
SCHEMBL17553796 0.72 PTGS2 (0.36) TOP2AHSD11B1
SCHEMBL20033947 0.69 HSD11B1 (0.44) TSHRHSD11B1
SCHEMBL3072438 0.69
SCHEMBL13073395 0.68 SLC9A1 (0.38) MPOTOP2A
SCHEMBL23424307 0.67

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-20210300937-A1 Novel Labelled Cannabinergic Ligands and Related Analogs MAKRIYANNIS ALEXANDROS (US) 2021-09-30 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-20210300937-A1 Novel Labelled Cannabinergic Ligands and Related Analogs CNR1, CNR2, CHRND TSHR 1105/4885MPO 4335/4885TOP2A 4463/4885

“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.