SCHEMBL222268

SCHEMBL222268

CCCCOc1cc(C(=O)OC)ccc1N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.67
TSHR P16473 2/20 0.67
CYP2D6 P10635 1/20 0.67
SLC6A2 P23975 1/20 0.67
SCN1A P35498 1/20 0.67
SLC6A3 Q01959 1/20 0.67
KCNH2 Q12809 1/20 0.67
HIF1A Q16665 1/20 0.67
SCN2A Q99250 1/20 0.67
SCN3A Q9NY46 1/20 0.67
HRH3 Q9Y5N1 1/20 0.67
RAD52 P43351 1/20 0.65
ERAP2 Q6P179 2/20 0.53
LNPEP Q9UIQ6 2/20 0.53
HTR4 Q13639 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
CASP1 P29466 2/20 0.50
MAPT P10636 2/20 0.50

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
SCHEMBL7499299 0.94 CYP1A2 (0.60) CYP1A2TSHRCYP2D6SLC6A2SCN1A
SCHEMBL11949139 0.93 CYP1A2 (0.57) CYP1A2TSHRCYP2D6SLC6A2SCN1A
SCHEMBL4747905 0.87 CYP1A2 (0.53) CYP1A2TSHRCYP2D6SLC6A2SCN1A
SCHEMBL8888393 0.87 MAPT (0.51) CYP1A2TSHRCYP2D6SLC6A2SCN1A
SCHEMBL1345863 0.87 MAPT (0.51) CYP1A2TSHRCYP2D6SLC6A2SCN1A
SCHEMBL8360925 0.86 SMPD1 (0.58) KDM4EALDH1A1HPGDCASP1MAPT
SCHEMBL223446 0.86 HSD17B10 (0.55) CYP1A2TSHRCYP2D6SLC6A2SCN1A
Hydrochloric Acid SCHEMBL25376018 0.85 RAD52 (0.52) CYP1A2TSHRCYP2D6SLC6A2SCN1A
SCHEMBL4295311 0.85 MAPT (0.50) CYP1A2TSHRCYP2D6SLC6A2SCN1A
SCHEMBL5925659 0.85 TSHR (0.62) CYP1A2TSHRCYP2D6SLC6A2SCN1A

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
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
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-20110130398-A1 SPIROINDOLINONE PYRROLIDINES BARTKOVITZ DAVID JOSEPH 2011-06-02 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 (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-20110130398-A1 SPIROINDOLINONE PYRROLIDINES RPS4Y1, RB1, RPS4X CYP1A2 852/4885TSHR 452/4885CYP2D6 864/4885

“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.