SCHEMBL3975604

SCHEMBL3975604

CCOC(=O)C1(C)CN(C(=O)OCc2ccccc2)CC1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
RORC P51449 4/20 0.44
PDE4B Q07343 2/20 0.43
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 1/20 0.42
MMP9 P14780 2/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
ADAM17 P78536 1/20 0.41
ADAM9 Q13443 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR2C P28335 1/20 0.41

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
SCHEMBL3977032 0.90 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ARORCPDE4B
SCHEMBL3975238 0.86 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ARORCCYP2C19
SCHEMBL10306087 0.86 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ARORCCYP2C19
SCHEMBL3976530 0.86 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ARORCCYP2C19
SCHEMBL3976642 0.83 RORC (0.46) SMN1; SMN2NPC1RAB9ARORCCYP2C19
SCHEMBL10306100 0.83 RORC (0.46) SMN1; SMN2NPC1RAB9ARORCCYP2C19
SCHEMBL30069335 0.83 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9APDE4BCYP2C19
SCHEMBL3975896 0.79 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ARORCCYP2C19
SCHEMBL10306096 0.79 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ARORCCYP2C19
SCHEMBL21806193 0.78 MEN1 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1882689-B1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-07-10 EP disclosed
US-8476429-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-09-13 US disclosed
US-8211910-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-07-03 US disclosed
EP-2463274-A1 Tri-or tetra-substituted-3-aminopyrrolidine deritatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-13 EP disclosed
US-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-08 US disclosed
US-7563805-B2 7-[3-Amino-3,4-dimethylpyrrolidine-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-8-methyl-4-oxoquinoline-3-carboxylic acid: quinoline bactericide; broad spectrum, strong antibacterial activity for Grampositive/-negative including multiple resistant cocci; side effect reductcion; drug design DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-07-21 US disclosed
EP-1882689-A1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2008-01-30 EP disclosed
US-20060264428-A1 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-23 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 (3 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-20060264428-A1 Tri-, tetra-substituted-3-aminopyrrolidine derivative QTRT1, RRS1, LAS1L SMN1; SMN2 4631/4885NPC1 4101/4885RAB9A 439/4885
US-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE AAAS, NPEPPS, TEAD4 SMN1; SMN2 4372/4885NPC1 4303/4885RAB9A 741/4885
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE TLR5, TEAD4, NAALAD2 SMN1; SMN2 4709/4885NPC1 4514/4885RAB9A 1458/4885

“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.