SCHEMBL2454589

SCHEMBL2454589

COCCN(C)C(C)OCCN(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.42
CHRM2 P08172 3/20 0.36
ADRA2A P08913 3/20 0.36
CHRM1 P11229 3/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
OPRM1 P35372 3/20 0.36
DRD3 P35462 3/20 0.36
SLC6A3 Q01959 3/20 0.36
CYP2D6 P10635 3/20 0.36
LMNA P02545 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
ADRA2B P18089 2/20 0.36
CHRM3 P20309 2/20 0.36
HRH2 P25021 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
ADRA1A P35348 2/20 0.36
HRH1 P35367 2/20 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
SCHEMBL320363 0.79 MAPT (0.44) CHRM2ADRA2ACHRM1SLC6A2SLC6A4
SCHEMBL174185 0.76
SCHEMBL3731822 0.75 CHRM2 (0.42) PIK3CDCHRM2ADRA2ACHRM1SLC6A2
SCHEMBL28643566 0.75 MAPT (0.34) CHRM2ADRA2ACHRM1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL10570933 0.74
SCHEMBL11230541 0.74
Iodide SCHEMBL5017287 0.74
SCHEMBL7919129 0.73 CHRM2 (0.35) PIK3CDCHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2075860 0.72
SCHEMBL15435992 0.69 CHRM1 (0.41) CHRM2ADRA2ACHRM1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2371831-B1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND NIPPON SODA CO (JP) 2016-09-07 EP disclosed
US-9133098-B2 Process for producing organolithium compound and process for producing substituted aromatic compound NIPPON SODA CO., LTD. (JP) 2015-09-15 US disclosed
US-20150025276-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND NIPPON SODA CO., LTD. (JP) 2015-01-22 US disclosed
US-8871970-B2 Process for producing organolithium compound and process for producing substituted aromatic compound NIPPON SODA CO., LTD. (JP) 2014-10-28 US disclosed
EP-2371831-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND Nippon Soda Co., Ltd. (JP) 2011-10-05 EP disclosed
US-20110224457-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND NIPPON SODA CO., LTD. 2011-09-15 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-20110224457-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND C9, TRPA1, PKD1 PIK3CD 2067/4885CHRM2 4597/4885ADRA2A 4364/4885
US-20150025276-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND C9, TRPA1, PKD1 PIK3CD 2067/4885CHRM2 4597/4885ADRA2A 4364/4885

“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.