SCHEMBL21065810

SCHEMBL21065810

CC(C)C1=NOC(c2cccnc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 8/20 0.44
CYP3A4 P08684 1/20 0.41
CHRNB2 P17787 6/20 0.40
CHRNA4 P43681 6/20 0.40
CHRNA7 P36544 4/20 0.40
ALDH1A1 P00352 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA2 Q15822 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
PSIP1 O75475 1/20 0.40
TRPA1 O75762 1/20 0.40
HTR3B O95264 1/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
MAPT P10636 1/20 0.40
CHRNB1 P11230 1/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL21065809 0.82 TSHR (0.53)
SCHEMBL21066095 0.81 TSHR (0.37)
SCHEMBL13363922 0.80 CYP2A6 (0.48) CYP2A6CYP3A4CHRNB2CHRNA4CHRNA7
SCHEMBL12897797 0.76 CYP2A6 (0.48) CYP2A6CYP3A4CHRNB2CHRNA4CHRNA7
SCHEMBL12897799 0.76 CYP2A6 (0.48) CYP2A6CYP3A4CHRNB2CHRNA4CHRNA7
SCHEMBL12897749 0.76 CYP2A6 (0.48) CYP2A6CYP3A4CHRNB2CHRNA4CHRNA7
SCHEMBL12922856 0.74 KDM4E (0.44) CYP2A6CYP3A4CHRNB2CHRNA4ALDH1A1
SCHEMBL13363931 0.73 CYP2A6 (0.42) CYP2A6CYP3A4CHRNB2CHRNA4CHRNA7
SCHEMBL12922861 0.73 CYP2A6 (0.42) CYP2A6CYP3A4CHRNB2CHRNA4CHRNA7
SCHEMBL12922858 0.72 CYP2A6 (0.44) CYP2A6CYP3A4CHRNB2CHRNA4CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3497101-B1 SUBSTITUTED 2-HETEROCYCLYL IMIDAZOLYL-CARBOXAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2020-12-30 EP disclosed
US-10660333-B2 Substituted 2-heterocyclylimidazolylcarboxamides as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-05-26 US disclosed
US-20190166837-A1 SUBSTITUTED 2-HETEROCYCLYLIMIDAZOLYLCARBOXAMIDES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-06-06 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-20190166837-A1 SUBSTITUTED 2-HETEROCYCLYLIMIDAZOLYLCARBOXAMIDES AS PESTICIDES DDT, PTMS, TSNAX CYP2A6 484/4885CYP3A4 352/4885CHRNB2 1454/4885
US-10660333-B2 Substituted 2-heterocyclylimidazolylcarboxamides as pesticides DDT, PTMS, TSNAX CYP2A6 484/4885CYP3A4 352/4885CHRNB2 1454/4885

“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.