SCHEMBL3390388

SCHEMBL3390388

CCCCOC(=O)NN1CCC(CF)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
KMT2A Q03164 1/20 0.36
RELA Q04206 1/20 0.36
EPHX1 P07099 1/20 0.36
ACHE P22303 7/20 0.36
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NAAA Q02083 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL3390391 1.00 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL6313168 0.88 EPHX1 (0.37) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL7009651 0.83 EPHX1 (0.40) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL7694341 0.78 NAAA (0.37) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL30965549 0.78 ACHE (0.39) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL6167490 0.77 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL6167492 0.77 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL6582896 0.77 MAPT (0.47) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL5747211 0.77 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL4629906 0.75 EPHX1 (0.38) SMN1; SMN2NPC1RAB9AMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1857453-B1 FLUOROALKYLPYRROLIDINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-12-29 EP disclosed
US-20090012119-A1 FLUOROALKYLPYRROLIDINE DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-01-08 US disclosed
EP-1857453-A1 FLUOROALKYLPYRROLIDINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2007-11-21 EP 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-20090012119-A1 FLUOROALKYLPYRROLIDINE DERIVATIVE FPR1, VIP, Q6ZSR9 SMN1; SMN2 4468/4885NPC1 850/4885RAB9A 1384/4885

“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.