SCHEMBL3770375

SCHEMBL3770375

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.35
LTB4R Q15722 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
NPC1 O15118 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
RECQL P46063 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CASP1 P29466 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
SCHEMBL3770369 1.00 FFAR4 (0.35) FFAR4LTB4RSMN1; SMN2ALDH1A1LMNA
SCHEMBL3771894 0.90 LTB4R (0.35) LTB4RSMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL3781381 0.89 FFAR4 (0.38) FFAR4MAPTTHRBCHRNB4CHRNA3
SCHEMBL3779162 0.88 FFAR4 (0.37) FFAR4THRATHRBCHRNB4CHRNA3
SCHEMBL3782750 0.88 FFAR4 (0.40) FFAR4LTB4RMAPTCHRNB4CHRNA3
SCHEMBL3771875 0.88 FFAR4 (0.38) FFAR4SMN1; SMN2CHRNB4CHRNA3CHRNA7
SCHEMBL3777917 0.87 FFAR4 (0.35) FFAR4THRATHRBCHRNB4CHRNA3
SCHEMBL3770617 0.85 CHRNB1 (0.36) SMN1; SMN2ALDH1A1LMNARAB9AMAPT
SCHEMBL3773721 0.84 NPC1 (0.35) FFAR4SMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL3779570 0.82 XDH (0.36) ALDH1A1LMNA

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.