SCHEMBL16768636

SCHEMBL16768636

CC1=N[C@@H]2CCCC[C@H]2N1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
TOP2A P11388 2/20 0.42
TOP2B Q02880 2/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
NOS3 P29474 3/20 0.33
NOS2 P35228 3/20 0.33
NOS1 P29475 3/20 0.31
HDAC11 Q96DB2 1/20 0.30
PARP1 P09874 1/20 0.30

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
SCHEMBL20707537 1.00 LMNA (0.51) LMNATOP2ATOP2BNPC1TP53
SCHEMBL13298372 1.00 LMNA (0.51) LMNATOP2ATOP2BNPC1TP53
SCHEMBL8306920 1.00 LMNA (0.51) LMNATOP2ATOP2BNPC1TP53
SCHEMBL21745573 1.00 LMNA (0.51) LMNATOP2ATOP2BNPC1TP53
SCHEMBL279589 1.00 LMNA (0.51) LMNATOP2ATOP2BNPC1TP53
SCHEMBL19524890 0.98 LMNA (0.50) LMNATOP2ATOP2BNPC1TP53
SCHEMBL16404044 0.98 LMNA (0.50) LMNATOP2ATOP2BNPC1TP53
SCHEMBL18612775 0.95
SCHEMBL16404043 0.89 LMNA (0.44) LMNATOP2ATOP2BNPC1TP53
SCHEMBL15765621 0.87 LMNA (0.43) LMNATOP2ATOP2BNPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9597673-B2 Iron catalysts with unsymmetrical PNN'P ligands THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-03-21 US disclosed
US-9597673-B2 Iron catalysts with unsymmetrical PNN'P ligands THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-03-21 US disclosed
US-20150151289-A1 IRON CATALYSTS WITH UNSYMMETRICAL PNN'P LIGANDS GOVERING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2015-06-04 US disclosed
US-20150151289-A1 IRON CATALYSTS WITH UNSYMMETRICAL PNN'P LIGANDS GOVERING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2015-06-04 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 (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-20150151289-A1 IRON CATALYSTS WITH UNSYMMETRICAL PNN'P LIGANDS PNN, NCL, IDH2 LMNA 3044/4885TOP2A 1292/4885TOP2B 1305/4885

“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.