SCHEMBL20320355

SCHEMBL20320355

Cc1noc(C2(Cl)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HSD11B1 P28845 1/20 0.37
KRAS P01116 1/20 0.35
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL13844344 0.76 CHRM2 (0.44) CHRM2SLC6A2SLC6A4SLC6A3HSD11B1
SCHEMBL14942714 0.74 CHRM2 (0.39) CHRM2SLC6A2SLC6A4SLC6A3HSD11B1
SCHEMBL12259635 0.74 CHRM2 (0.39) CHRM2SLC6A2SLC6A4SLC6A3HSD11B1
Hydrochloric Acid SCHEMBL2391000 0.72 CHRM2 (0.38) CHRM2SLC6A2SLC6A4SLC6A3HSD11B1
SCHEMBL15998536 0.71 CHRM2 (0.37) CHRM2SLC6A2SLC6A4SLC6A3HSD11B1
SCHEMBL22629097 0.71 HSD11B1 (0.44) CHRM2SLC6A2SLC6A4SLC6A3HSD11B1
SCHEMBL13105097 0.71 CHRM2 (0.41) CHRM2SLC6A2SLC6A4SLC6A3HSD11B1
SCHEMBL13095272 0.71 HSD11B1 (0.38) CHRM2SLC6A2SLC6A4SLC6A3HSD11B1
SCHEMBL22628919 0.69 HSD11B1 (0.47) CHRM2SLC6A2SLC6A4SLC6A3HSD11B1
SCHEMBL15116407 0.69 CHRM2 (0.36) CHRM2SLC6A2SLC6A4SLC6A3HSD11B1

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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS CHRM2 1499/4885SLC6A2 1743/4885SLC6A4 1500/4885

“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.