SCHEMBL17300565

SCHEMBL17300565

C=C1C=CC(=O)N1CCOC(C)N1CCCCCC1=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
MGLL Q99685 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
SCHEMBL17300568 0.95 LMNA (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL15909701 0.91 MGLL (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL15909700 0.86 MGLL (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8524177 0.76 PIK3CD (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14865023 0.74 MGLL (0.44) MGLL
SCHEMBL8544980 0.71 PIK3CD (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17300564 0.70 THRB (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17300566 0.70 THRB (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL15909714 0.70 LMNA (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17300567 0.70 LMNA (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3

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-9751866-B2 Hemi-aminal ethers and thioethers of N-alkenyl cyclic compounds ISP INVESTMENTS LLC (US) 2017-09-05 US disclosed
US-20150344461-A1 HEMI-AMINAL ETHERS AND THIOETHERS OF N-ALKENYL CYCLIC COMPOUNDS ISP INVESTMENTS INC. (US) 2015-12-03 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-20150344461-A1 HEMI-AMINAL ETHERS AND THIOETHERS OF N-ALKENYL CYCLIC COMPOUNDS TST, AHR, ALOX12 CHRM2 1169/4885CHRM4 1418/4885CHRM5 2638/4885

“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.