SCHEMBL3976940

SCHEMBL3976940

C=C1CN(C(=O)OCc2ccccc2)C[C@]1(C)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PDE4B Q07343 1/20 0.42
HTR2C P28335 2/20 0.41
SYK P43405 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RORC P51449 2/20 0.40
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
PARP1 P09874 1/20 0.40
AGTR2 P50052 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38

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
SCHEMBL3976125 1.00 CTSL (0.43) CTSLHTTSMN1; SMN2NPC1RAB9A
SCHEMBL30069346 0.90 HTT (0.45) CTSLHTTSMN1; SMN2NPC1RAB9A
SCHEMBL14828963 0.82 SYK (0.46) CTSLHTTSMN1; SMN2NPC1RAB9A
SCHEMBL27733746 0.82 SMN1; SMN2 (0.44) HTTSMN1; SMN2NPC1RAB9APDE4B
SCHEMBL27733865 0.82 SMN1; SMN2 (0.44) HTTSMN1; SMN2NPC1RAB9APDE4B
SCHEMBL3975071 0.79 RORC (0.44) CTSLHTTSMN1; SMN2NPC1RAB9A
SCHEMBL10306090 0.79 RORC (0.44) CTSLHTTSMN1; SMN2NPC1RAB9A
SCHEMBL10306093 0.79 RORC (0.44) CTSLHTTSMN1; SMN2NPC1RAB9A
SCHEMBL3976887 0.79 RORC (0.44) CTSLHTTSMN1; SMN2NPC1RAB9A
SCHEMBL3975601 0.79 RORC (0.44) CTSLHTTSMN1; SMN2NPC1RAB9A

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 10 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
CN-101189222-A Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI SEIYAKU CO (JP) 2008-05-28 CN 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 CTSL 822/4885HTT 3414/4885SMN1; SMN2 4631/4885
US-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE AAAS, NPEPPS, TEAD4 CTSL 410/4885HTT 4125/4885SMN1; SMN2 4372/4885
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE TLR5, TEAD4, NAALAD2 CTSL 390/4885HTT 4050/4885SMN1; SMN2 4709/4885

“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.