SCHEMBL3771899

SCHEMBL3771899

CC(C)(C)CN(C(=O)O)C1(COc2cnc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc([N+](=O)[O-])cc3)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.35
PTPN11 Q06124 2/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 5/20 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 3/20 0.33
MAPK1 P28482 3/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
EP300 Q09472 2/20 0.33
AURKA O14965 1/20 0.33
GYS1 P13807 1/20 0.32
HTT P42858 1/20 0.32
XBP1 P17861 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 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
SCHEMBL3142740 0.87 THRB (0.38) LTB4RPTPN11THRBKMT2AMAPT
SCHEMBL3778603 0.87 MALT1 (0.38)
SCHEMBL3770622 0.86 CHRNB1 (0.36) LTB4RPTPN11THRBMAPTALDH1A1
SCHEMBL3771897 0.81 LTB4R (0.35) LTB4RPTPN11THRBKMT2AMAPT
SCHEMBL3782752 0.78 FFAR4 (0.41) THRBEP300
SCHEMBL3771894 0.77 LTB4R (0.35) LTB4RPTPN11THRBKMT2AMAPT
SCHEMBL3151256 0.77 FFAR4 (0.38) PTPN11THRBKMT2AMAPTMEN1
SCHEMBL3777923 0.77 THRA (0.36) THRB
SCHEMBL3779567 0.77 FFAR4 (0.32) THRB
SCHEMBL3142732 0.76 THRB (0.36) THRBKMT2AMAPTMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them LES LABORATOIRES SERVIER (FR) 2010-12-16 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-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them CHRNA6, CHRNE, CHRNG LTB4R 149/4885PTPN11 1049/4885THRB 226/4885

“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.