SCHEMBL11952841

SCHEMBL11952841

CC(=O)CN1CCCCN1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
CA2 P00918 1/20 0.33
CHKA P35790 1/20 0.33
MMP3 P08254 1/20 0.33
BIRC2 Q13490 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 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
SCHEMBL3795193 0.79 CA2 (0.38) CHRM5CHRM3CA2CHKAALDH1A1
SCHEMBL44272 0.79 CA2 (0.38) CHRM5CHRM3CA2CHKAALDH1A1
SCHEMBL3237370 0.78 L3MBTL1 (0.39) CHRM5CHRM3CA2CHKAALDH1A1
SCHEMBL28190985 0.76
SCHEMBL12534297 0.72 CHRM5 (0.36) CHRM5CHRM3ALDH1A1
Carbamic Acid SCHEMBL3170790 0.72 SMN1; SMN2 (0.32) CA2CHKAMMP3
SCHEMBL13070544 0.70
SCHEMBL27632519 0.69 MAPT (0.50) CA2CHKAALDH1A1
SCHEMBL13100975 0.69
SCHEMBL15824158 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853133-B2 Analyte determination utilizing mass tagging reagents comprising a non-encoded detectable label DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2014-10-07 US disclosed
US-8853133-B2 Analyte determination utilizing mass tagging reagents comprising a non-encoded detectable label DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2014-10-07 US disclosed
US-8492163-B2 Methods, mixtures, kits and compositions pertaining to analyte determination DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2013-07-23 US disclosed
US-20130184181-A1 ANALYTE DETERMINATION UTILIZING MASS TAGGING REAGENTS COMPRISING A NON-ENCODED DETECTABLE LABEL DH TECHNOLOGIES DEVELOPMENT PTE. LTD. 2013-07-18 US disclosed
US-20130184181-A1 ANALYTE DETERMINATION UTILIZING MASS TAGGING REAGENTS COMPRISING A NON-ENCODED DETECTABLE LABEL DH TECHNOLOGIES DEVELOPMENT PTE. LTD. 2013-07-18 US disclosed
US-8362242-B2 Analyte determination utilizing mass tagging reagents comprising a non-encoded detectable label DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2013-01-29 US disclosed
US-20120196378-A1 Methods, Mixtures, Kits and Compositions Pertaining to Analyte Determination DH TECHNOLOGIES DEVELOPMNET PTE LTD. (SI) 2012-08-02 US disclosed
US-7906341-B2 Isobaric sets, mass differential labeling sets; mass spectrometry DH TECHNOLOGIES DEVELOPMENT PTE, LTD. (SG) 2011-03-15 US disclosed
US-20110028685-A1 Analyte Determination Utilizing Mass Tagging Reagents Comprising A Non-Encoded Detectable Label APPLERA CORPORATION. (US) 2011-02-03 US disclosed
US-20080241955-A1 Methods, Mixtures, Kits And Compositions Pertaining To Analyte Determination APPLERA CORPORATION (US) 2008-10-02 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-20110028685-A1 Analyte Determination Utilizing Mass Tagging Reagents Comprising A Non-Encoded Detectable Label SRMS, KLK3, CNDP2 CHRM5 2796/4885CHRM3 3007/4885CA2 3722/4885
US-20080241955-A1 Methods, Mixtures, Kits And Compositions Pertaining To Analyte Determination SRMS, KLK3, MPO CHRM5 1444/4885CHRM3 1958/4885CA2 1006/4885
US-20120196378-A1 Methods, Mixtures, Kits and Compositions Pertaining to Analyte Determination SRMS, KLK3, MPO CHRM5 1444/4885CHRM3 1958/4885CA2 1006/4885

“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.