SCHEMBL10164591

SCHEMBL10164591

CCON1CCC(NC(=O)Cc2cc(C)ccc2C)(C(=O)OC)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TP53 P04637 4/20 0.35
P2RX7 Q99572 2/20 0.34
KMT2A Q03164 2/20 0.34
MDM2 Q00987 1/20 0.34
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL247644 0.90 NPC1 (0.37) MAPK8SMN1; SMN2NPC1RAB9ATP53
SCHEMBL247909 0.84 HDAC3 (0.35) TP53P2RX7KMT2AADRA1DADRA1A
SCHEMBL16490008 0.82 THRB (0.41) MAPK8SMN1; SMN2NPC1RAB9AP2RX7
SCHEMBL16490007 0.82 THRB (0.41) MAPK8SMN1; SMN2NPC1RAB9AP2RX7
SCHEMBL10164938 0.82 MAPK8 (0.41) MAPK8SMN1; SMN2NPC1RAB9ATP53
SCHEMBL19578935 0.81 NPC1 (0.37) MAPK8SMN1; SMN2NPC1RAB9AP2RX7
SCHEMBL12778710 0.81 NPC1 (0.37) MAPK8SMN1; SMN2NPC1RAB9AP2RX7
SCHEMBL30063229 0.81 NPC1 (0.37) MAPK8SMN1; SMN2NPC1RAB9AP2RX7
SCHEMBL13596568 0.81 NPC1 (0.36) MAPK8SMN1; SMN2NPC1RAB9ATP53
SCHEMBL10165687 0.80 KMT2A (0.43) P2RX7KMT2AMEN1

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-2421865-B1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USED AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-07-10 EP disclosed
EP-2197844-B1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-07-25 EP disclosed
US-20120035201-A1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USED AS PESTICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-02-09 US disclosed
US-20100311777-A1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-09 US disclosed
US-20100311777-A1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-09 US disclosed
WO-2010115780-A1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USED AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-10-14 WO disclosed
WO-2009049851-A1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-04-23 WO 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-20100311777-A1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USEFUL AS PESTICIDES DDT, PKD2, PKD1 MAPK8 3963/4885SMN1; SMN2 3146/4885NPC1 3498/4885
US-20120035201-A1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USED AS PESTICIDES DDT, PKD2, PKD1 MAPK8 4173/4885SMN1; SMN2 2581/4885NPC1 2090/4885

“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.