SCHEMBL29615873

SCHEMBL29615873

N[C@H]1CCCC[C@@H]1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.49
G6PC1 P35575 1/20 0.41
OPRM1 P35372 3/20 0.40
CA2 P00918 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
OPRK1 P41145 2/20 0.38
OPRD1 P41143 1/20 0.38
AOC3 Q16853 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SIGMAR1 Q99720 1/20 0.37
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
YTHDC1 Q96MU7 1/20 0.36

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
SCHEMBL490929 1.00 SLC18A3 (0.49) SLC18A3G6PC1OPRM1CA2SLC6A2
SCHEMBL2197649 1.00 SLC18A3 (0.49) SLC18A3G6PC1OPRM1CA2SLC6A2
SCHEMBL2936927 1.00 SLC18A3 (0.49) SLC18A3G6PC1OPRM1CA2SLC6A2
Bromide SCHEMBL19897108 0.98 SLC18A3 (0.47) SLC18A3G6PC1OPRM1CA2SLC6A2
Bromide SCHEMBL19897327 0.98 SLC18A3 (0.47) SLC18A3G6PC1OPRM1CA2SLC6A2
Bromide SCHEMBL16799712 0.98 SLC18A3 (0.47) SLC18A3G6PC1OPRM1CA2SLC6A2
Bromide SCHEMBL20398790 0.97 SLC18A3 (0.46) SLC18A3G6PC1OPRM1CA2SLC6A2
SCHEMBL25209581 0.83 SLC18A3 (0.48) SLC18A3G6PC1OPRM1CA2SLC6A2
SCHEMBL28811067 0.83 SLC18A3 (0.44) SLC18A3OPRM1SLC6A2SLC6A4OPRK1
SCHEMBL6431460 0.83 SIGMAR1 (0.37) SLC18A3SLC6A2SLC6A4MEN1KMT2A

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
US-11528906-B2 Pyrrolidinones as herbicides FMC CORPORATION (US) 2022-12-20 US disclosed
US-20220281848-A1 PYRAZOLE-SUBSTITUTED PYRROLIDINONES AS HERBICIDES FMC CORP (US) 2022-09-08 US disclosed
US-20220132844-A1 PYRROLIDINONES AS HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY 2022-05-05 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 (3 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-20220132844-A1 PYRROLIDINONES AS HERBICIDES DDT, ARG1, PRMT1 SLC18A3 3456/4885G6PC1 1205/4885OPRM1 1740/4885
US-20220281848-A1 PYRAZOLE-SUBSTITUTED PYRROLIDINONES AS HERBICIDES CBR3, PRMT9, ARG1 SLC18A3 3846/4885G6PC1 1725/4885OPRM1 1910/4885
US-11528906-B2 Pyrrolidinones as herbicides DDT, ARG1, PRMT1 SLC18A3 3456/4885G6PC1 1205/4885OPRM1 1740/4885

“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.