SCHEMBL219868

SCHEMBL219868

CCOC(=O)CNc1ccc(N)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
PPID Q08752 3/20 0.57
PPIB P23284 1/20 0.57
PPIA P62937 1/20 0.57
PPIG Q13427 1/20 0.57
LMNA P02545 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAOA P21397 1/20 0.51
KDM4E B2RXH2 2/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.46
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
MAPT P10636 3/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
XDH P47989 1/20 0.43

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
Hydrochloric Acid SCHEMBL10499404 0.98 POLB (0.60) POLBPPIDPPIBPPIAPPIG
SCHEMBL5090136 0.86 PPID (0.51) POLBPPIDPPIBPPIAPPIG
SCHEMBL4035087 0.86 POLB (0.65) POLBPPIDKDM4EHTTALDH1A1
Water SCHEMBL9248793 0.84 POLB (0.63) POLBPPIDKDM4EHTTALDH1A1
SCHEMBL1372423 0.84 POLB (0.63) POLBPPIDLMNAKDM4EHTT
SCHEMBL8487007 0.84 CA12 (0.46) POLBPPIDPPIBPPIAPPIG
SCHEMBL4824465 0.83 TOP2A (0.49) POLBPPIDPPIBPPIAPPIG
SCHEMBL17118308 0.83 POLB (0.58) POLBPPIDLMNAKDM4EHTT
SCHEMBL6380991 0.83 POLB (0.58) POLBLMNAKDM4EHTTALDH1A1
SCHEMBL28088277 0.83 POLB (0.58) POLBPPIDPPIBPPIAPPIG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507243-B1 SPIROINDOLINONE PYRROLIDINES HOFFMANN LA ROCHE (CH) 2015-06-10 EP disclosed
EP-2507243-B1 SPIROINDOLINONE PYRROLIDINES HOFFMANN LA ROCHE (CH) 2015-06-10 EP disclosed
CN-102741257-B Spiroindolinone pyrrolidines HOFFMANN LA ROCHE 2015-03-04 CN disclosed
EP-2507243-A1 SPIROINDOLINONE PYRROLIDINES F. Hoffmann-La Roche AG (CH) 2012-10-10 EP disclosed
US-8088815-B2 Spiroindolinone pyrrolidines HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
US-8088815-B2 Spiroindolinone pyrrolidines HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
WO-2011067185-A1 SPIROINDOLINONE PYRROLIDINES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed
WO-2011067185-A1 SPIROINDOLINONE PYRROLIDINES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed
US-20110130398-A1 SPIROINDOLINONE PYRROLIDINES BARTKOVITZ DAVID JOSEPH 2011-06-02 US disclosed
US-20110130398-A1 SPIROINDOLINONE PYRROLIDINES BARTKOVITZ DAVID JOSEPH 2011-06-02 US disclosed
US-20030138432-A1 Selective cellular targeting: multifunctional delivery vehicles, multifunctional prodrugs, use as antineoplastic drugs DRUG INNOVATION & DESIGN, INC. 2003-07-24 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 (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-20030138432-A1 Selective cellular targeting: multifunctional delivery vehicles, multifunctional prodrugs, use as antineoplastic drugs PAICS, ABCB1, ABCG2 POLB 4079/4885PPID 1442/4885PPIB 1523/4885
US-20110130398-A1 SPIROINDOLINONE PYRROLIDINES RPS4Y1, RB1, RPS4X POLB 2726/4885PPID 960/4885PPIB 1595/4885

“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.