SCHEMBL6850163

SCHEMBL6850163

COC(=O)C1(NC(=O)Cc2ccc(C)cc2C)CCN(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
P2RX7 Q99572 3/20 0.36
CYP3A4 P08684 1/20 0.36
LPAR1 Q92633 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
ALOX15 P16050 1/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6767273 0.88 NPC1 (0.41) NPC1RAB9AFPR3FPR2P2RX7
SCHEMBL8862996 0.88 L3MBTL1 (0.42) NPC1RAB9AP2RX7CYP3A4MEN1
SCHEMBL8862748 0.87 L3MBTL1 (0.42) NPC1RAB9AP2RX7CYP3A4MAPT
SCHEMBL8862685 0.87 L3MBTL1 (0.42) NPC1RAB9AP2RX7CYP3A4MAPT
SCHEMBL8862558 0.87 L3MBTL1 (0.42) NPC1RAB9AP2RX7CYP3A4MAPT
SCHEMBL6850976 0.84 ALOX15 (0.40) OPRM1ADRA1DADRA1AMEN1KMT2A
SCHEMBL8907303 0.84 P2RX7 (0.39) NPC1RAB9AP2RX7LPAR1LMNA
SCHEMBL8907373 0.82 P2RX7 (0.38) NPC1RAB9AP2RX7MEN1KMT2A
SCHEMBL9045049 0.82 CYP3A4 (0.37) OPRM1NPC1RAB9AFPR3FPR2
SCHEMBL13940426 0.81 P2RX7 (0.37) NPC1RAB9AP2RX7MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6774133-B2 Substituted spiroheterocyclic 1H-3-aryl-pyrrolidine-2,4-dione derivatives, processes for their preparation, and their use as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2004-08-10 US disclosed
US-20040009999-A1 Substituted spiroheterocyclic 1H-3-aryl-pyrrolidine-2,4-dione derivatives, processes for their preparation, and their use as pesticides FISCHER REINER (DE) 2004-01-15 US disclosed
US-6555567-B1 2-oxo-3-aryl-4-hydroxy-1-aza-8-thiaspiro(4.5)decane derivatives of given formula; use as arthropodicide or nematicide BAYER AKTIENGESELLSCHAFT (DE) 2003-04-29 US disclosed
US-5981567-A ARTHROPODICIDAL OR NEMATICIDAL COMPOSITION BAYER AKTIENGESELLSCHAFT (DE) 1999-11-09 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-20040009999-A1 Substituted spiroheterocyclic 1H-3-aryl-pyrrolidine-2,4-dione derivatives, processes for their preparation, and their use as pesticides DDT, HPD, CAT OPRM1 2117/4885NPC1 3138/4885RAB9A 492/4885

“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.