SCHEMBL3771897

SCHEMBL3771897

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.35
MAPT P10636 4/20 0.33
KMT2A Q03164 4/20 0.33
LMNA P02545 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
MAPK1 P28482 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
MEN1 O00255 2/20 0.33
EP300 Q09472 2/20 0.32
PTPN11 Q06124 1/20 0.32
HTT P42858 1/20 0.32
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
THRB P10828 2/20 0.32
XBP1 P17861 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31
THRA P10827 1/20 0.31

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
SCHEMBL3770372 0.90 FFAR4 (0.35) LTB4RMAPTKMT2ALMNASMN1; SMN2
SCHEMBL3770619 0.85 CHRNB1 (0.36) LTB4RMAPTLMNASMN1; SMN2PTPN11
SCHEMBL3771899 0.81 LTB4R (0.35) LTB4RMAPTKMT2ALMNASMN1; SMN2
SCHEMBL3142732 0.81 THRB (0.36) MAPTKMT2ALMNASMN1; SMN2MAPK1
SCHEMBL3142740 0.81 THRB (0.38) LTB4RMAPTKMT2ALMNASMN1; SMN2
SCHEMBL3146607 0.80 MEN1 (0.38) MAPTKMT2ALMNASMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL3775063 0.79 MEN1 (0.38) MAPTKMT2ALMNASMN1; SMN2MAPK1
SCHEMBL3771010 0.78 CHRNB2 (0.48) MAPTLMNASMN1; SMN2TDP1ALDH1A1
SCHEMBL3771894 0.78 LTB4R (0.35) LTB4RMAPTKMT2ALMNASMN1; SMN2
SCHEMBL3776533 0.78 MAP4K4 (0.37) LTB4RMAPTSMN1; SMN2

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 149/4885MAPT 3996/4885KMT2A 1759/4885

“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.