SCHEMBL718688

SCHEMBL718688

CN(C)CCOB(OCCN(C)C)OCCN(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
CA12 O43570 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
CA1 P00915 2/20 0.37
LYPLA1 O75608 1/20 0.36
LYPLA2 O95372 1/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35

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
SCHEMBL15127361 0.86 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11738023 0.82 DNM1 (0.50) TSHRALDH1A1DNM1
SCHEMBL18163782 0.77
SCHEMBL11753890 0.69 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL15091 0.69 CA12 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL31371032 0.68 CHRNB2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12918862 0.67 CA12 (0.56) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL473385 0.67 CA12 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL174185 0.67
SCHEMBL3973874 0.67 CA12 (0.56) 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0148637-B1 IMPROVED SURFACE COATING COMPOSITIONS ALCAN INTERNATIONAL LIMITED (CA) 1986-11-26 EP claimed
EP-0148637-A1 Improved surface coating compositions ALCAN INTERNATIONAL LIMITED (CA) 1985-07-17 EP claimed
EP-2429957-B1 TAGGED SCALE INHIBITORS ABSOLUTE PETRO HYDRO TECH CO LTD (CN) 2015-07-29 EP disclosed
EP-2429957-A1 TAGGED SCALE INHIBITORS Absolute Petro Hydro Tech Co. Ltd (CN) 2012-03-21 EP disclosed
US-20120048808-A1 TAGGED SCALE INHIBITORS ABSOLUTE PETRO HYDRO TECH CO. LTD (CN) 2012-03-01 US disclosed
US-7888417-B2 core or the layer includes a composition formed from a base polymer, a crosslink initiator, and at least one additive; additive has at least one carbon-oxygen-boron linkage, carbon in the linkage being a secondary or tertiary carbon; enhances coefficient of restitution and/or reduces compression of core ACUSHNET COMPANY (US) 2011-02-15 US disclosed
WO-2010128322-A1 TAGGED SCALE INHIBITORS ABSOLUTE PETRO HYDRO TECH CO. LTD (CN) 2010-11-11 WO disclosed
US-7820810-B2 Process for the synthesis of 2′-O-substituted purine nulceosides ISIS PHARMACEUTICALS, INC. (US) 2010-10-26 US disclosed
US-20080261722-A1 COMPOSITIONS FOR USE IN GOLF BALLS ACUSHNET COMPANY 2008-10-23 US disclosed
US-20080234475-A1 PROCESS FOR THE SYNTHESIS OF 2'-O-SUBSTITUTED PURINES IONIS PHARMACEUTICALS, INC. 2008-09-25 US disclosed
US-20080227567-A1 COMPOSITIONS FOR USE IN GOLF BALLS ACUSHNET COMPANY 2008-09-18 US disclosed
US-20060281586-A1 Compositions for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2006-12-14 US disclosed
US-20060281587-A1 Compositions for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2006-12-14 US disclosed
US-20050245657-A1 Compositions for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-11-03 US disclosed
US-20050245652-A1 Compositions for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-11-03 US disclosed
US-4631087-A ALUMINUM ALKOXIDE, ORGANIC BASE WITH AMMONDA STABILIZER; COPPER, MANGANESE, COBALT, OR ZINC ORGANIC COMPOUND ALCAN INTERNATIONAL LIMITED (CA) 1986-12-23 US disclosed
EP-0148636-B1 IMPROVED SURFACE COATING COMPOSITIONS ALCAN INTERNATIONAL LIMITED (CA) 1986-11-26 EP disclosed
EP-0148637-B1 IMPROVED SURFACE COATING COMPOSITIONS ALCAN INTERNATIONAL LIMITED (CA) 1986-11-26 EP disclosed
EP-0148637-A1 Improved surface coating compositions ALCAN INTERNATIONAL LIMITED (CA) 1985-07-17 EP disclosed
EP-0148636-A2 Improved surface coating compositions ALCAN INTERNATIONAL LIMITED (CA) 1985-07-17 EP 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-20080234475-A1 PROCESS FOR THE SYNTHESIS OF 2'-O-SUBSTITUTED PURINES PNP, NUDT1, UMPS CHRM2 4560/4885CHRM4 3795/4885CHRM5 3674/4885

“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.