SCHEMBL4401337

SCHEMBL4401337

CCN1CCN(CN)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
RAD52 P43351 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
GFER P55789 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CHRNA7 P36544 1/20 0.39
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.35
HSD11B1 P28845 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN11 Q06124 1/20 0.33

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
Methylamine SCHEMBL21065237 0.83 GAA (0.46) GAARAD52SMN1; SMN2MAPTGFER
SCHEMBL1615269 0.83 ALOX15 (0.50) ALOX15
SCHEMBL577052 0.83 CHRNA7 (0.48) GAARAD52SMN1; SMN2MAPTGFER
SCHEMBL262312 0.83
SCHEMBL84808 0.83 CHRNA7 (0.48) GAARAD52SMN1; SMN2MAPTGFER
SCHEMBL6657817 0.83 CHRNA7 (0.48) GAARAD52SMN1; SMN2MAPTGFER
SCHEMBL577415 0.83 CHRNA7 (0.48) GAARAD52SMN1; SMN2MAPTGFER
SCHEMBL5011399 0.83
Ammonia Solution, Strong SCHEMBL4249875 0.79
Hydrochloric Acid SCHEMBL14482129 0.79 CHRNA7 (0.46) GAARAD52SMN1; SMN2MAPTGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022148317-A1 2-AMINOPYRIMIDINE COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF AND APPLICATION THEREOF 广州市力鑫药业有限公司 2022-07-14 WO disclosed
US-9714245-B2 Carboline compounds usable in the treatment of neurodegenerative diseases ALZPROTECT (FR) 2017-07-25 US disclosed
US-20160152610-A1 Carboline Compounds Usable in The Treatment of Neurodegenerative Diseases INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2016-06-02 US disclosed
US-20120329661-A1 Isotope Labeling-Assisted Quantification (iLAQ) of Biological Compounds MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2012-12-27 US disclosed
US-8080500-B2 Amine tungstates and lubricant compositions KING INDUSTRIES, INC. (US) 2011-12-20 US disclosed
US-7820602-B2 Amine tungstates and lubricant compositions KING INDUSTRIES, INC. (US) 2010-10-26 US disclosed
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-20090029888-A1 AMINE TUNGSTATES AND LUBRICANT COMPOSITIONS KING INDUSTRIES, INC. 2009-01-29 US disclosed
US-20080194440-A1 AMINE TUNGSTATES AND LUBRICANT COMPOSITIONS RAVICHANDRAN RAMANATHAN 2008-08-14 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
US-20070042917-A1 Amine Tungstates and Lubricant Compositions KING INDUSTRIES, INC. 2007-02-22 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 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 (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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 GAA 4637/4885RAD52 3513/4885SMN1; SMN2 728/4885
US-20120329661-A1 Isotope Labeling-Assisted Quantification (iLAQ) of Biological Compounds SRMS, QPCTL, NUP155 GAA 1845/4885RAD52 3606/4885SMN1; SMN2 4653/4885
US-20160152610-A1 Carboline Compounds Usable in The Treatment of Neurodegenerative Diseases SNCA, PARK7, HTT GAA 104/4885RAD52 4632/4885SMN1; SMN2 20/4885

“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.