SCHEMBL3021865

SCHEMBL3021865

CC(=O)OC1CN2CCN1CC2C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.38
CHRM1 P11229 3/20 0.38
CYP2D6 P10635 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM3 P20309 2/20 0.32
TSHR P16473 2/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL3020253 0.80 CHRM2 (0.33) CHRM2CHRM1CHRM4CHRM3
SCHEMBL3008475 0.76 CHRM2 (0.48) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL3010100 0.74 CHRM2 (0.36) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL11249862 0.71
SCHEMBL3009748 0.69 PDK1 (0.36) ALDH1A1
SCHEMBL3012830 0.67 CHRM2 (0.40) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL2021457 0.64 CHRM2 (0.40) CHRM2CHRM1CYP2D6MEN1KMT2A
Hydrochloric Acid SCHEMBL28431830 0.61 CHRM2 (0.39) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL28813451 0.61 CHRM2 (0.41) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL3020864 0.61

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-20100204438-A1 METHOD FOR PRODUCING TEDA DERIVATIVES BASF SE (DE) 2010-08-12 US disclosed
EP-2197882-A2 METHOD FOR PRODUCING TEDA DERIVATIVES Basf Se (DE) 2010-06-23 EP disclosed
WO-2009030649-A2 METHOD FOR PRODUCING TEDA DERIVATIVES BASF SE (DE) 2009-03-12 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-20100204438-A1 METHOD FOR PRODUCING TEDA DERIVATIVES TES, TRRAP, NAAA CHRM2 3790/4885CHRM1 4053/4885CYP2D6 595/4885

“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.