SCHEMBL3770372

SCHEMBL3770372

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.35
LTB4R Q15722 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TP53 P04637 2/20 0.33
MDM2 Q00987 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PTPN11 Q06124 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL3771897 0.90 LTB4R (0.35) LTB4RSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL3779166 0.88 FFAR4 (0.38) FFAR4CHRNB4CHRNA3CHRNA7
SCHEMBL3781385 0.88 FFAR4 (0.38) FFAR4CHRNB4CHRNA3CHRNA7
SCHEMBL3782751 0.88 FFAR4 (0.41) FFAR4CHRNB4CHRNA3CHRNA7
SCHEMBL3771878 0.87 FFAR4 (0.39) FFAR4LTB4RSMN1; SMN2CHRNB4CHRNA3
SCHEMBL3777920 0.86 FFAR4 (0.36) FFAR4CHRNB4CHRNA3CHRNA7
SCHEMBL3770619 0.85 CHRNB1 (0.36) LTB4RSMN1; SMN2LMNACHRNB4CHRNA3
SCHEMBL3778433 0.83 ABL1 (0.39) FFAR4SMN1; SMN2LMNA
SCHEMBL3772974 0.83 FFAR4 (0.36) FFAR4CHRNB4CHRNA3CHRNA7
SCHEMBL3773722 0.83 GSTO1 (0.35) FFAR4SMN1; SMN2MEN1KMT2ALMNA

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 FFAR4 110/4885LTB4R 149/4885SMN1; SMN2 3624/4885

“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.