SCHEMBL6840449

SCHEMBL6840449

CN(C)CCOC(=O)OCC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRM3 P20309 1/20 0.50
CHRNA4 P43681 1/20 0.50
DNM1 Q05193 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PHLPP2 Q6ZVD8 1/20 0.39
BCHE P06276 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 5/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 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
SCHEMBL3036708 0.85 CHRM1 (0.65) CHRM1CHRM2CHRM4CHRM5CHRNB2
Hydrochloric Acid SCHEMBL8397227 0.83 CHRM1 (0.62) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL320682 0.80 ALDH1A1 (0.45) ALDH1A1CYP2C19
SCHEMBL18195614 0.78 CHRM1 (0.52) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL5187604 0.77 TSHR (0.37) ALDH1A1CYP2C19
SCHEMBL3902989 0.77 CHRM1 (0.56) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL4740050 0.77 ALDH1A1 (0.40) CHRM1ALDH1A1CYP2C19KDM4E
SCHEMBL2606265 0.77 ALDH1A1 (0.59) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL18195623 0.76 DNM1 (0.58) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL22852158 0.75 TSHR (0.38) ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653141-B2 HIV protease inhibiting compounds ABBVIE INC. (US) 2014-02-18 US disclosed
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
US-8193227-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2012-06-05 US disclosed
US-20110003827-A1 HIV protease inhibiting compounds ABBVIE INC. 2011-01-06 US disclosed
US-7696226-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2010-04-13 US disclosed
US-7498436-B2 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY LLC (US) 2009-03-03 US disclosed
US-20050159469-A1 HIV protease inhibiting compounds ABBVIE INC. 2005-07-21 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-20110003827-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP CHRM1 4826/4885CHRM2 4816/4885CHRM4 4738/4885
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS SERPINB1, HPN, DNPEP CHRM1 4826/4885CHRM2 4816/4885CHRM4 4738/4885
US-20050159469-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP CHRM1 4826/4885CHRM2 4816/4885CHRM4 4738/4885

“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.