SCHEMBL4187339

SCHEMBL4187339

CC1(C(=O)O)CN(C(=O)OCc2ccccc2)CC1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
RORC P51449 2/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTR2C P28335 2/20 0.46
TMEM97 Q5BJF2 3/20 0.44
SIGMAR1 Q99720 3/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
DRD1 P21728 1/20 0.44
HRH2 P25021 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2A P28223 1/20 0.44
HTR1E P28566 1/20 0.44

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
SCHEMBL4169595 1.00 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ARORCCYP2C19
SCHEMBL4187343 1.00 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ARORCCYP2C19
SCHEMBL4180033 1.00 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ARORCCYP2C19
SCHEMBL3975238 0.88 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ARORCCYP2C19
SCHEMBL4174279 0.87 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ARORCCYP2C19
SCHEMBL4174274 0.87 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ARORCCYP2C19
SCHEMBL4181131 0.87 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ARORCCYP2C19
SCHEMBL1189044 0.87 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ARORCCYP2C19
SCHEMBL12492571 0.87 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ARORCCYP2C19
SCHEMBL3976891 0.86 RORC (0.50) SMN1; SMN2NPC1RAB9ARORCCYP2C19

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 7 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
EP-1882689-A1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2008-01-30 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 (2 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-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.