SCHEMBL6764679

SCHEMBL6764679

COC(=O)C1(NC(=O)Cc2ccc(C)cc2C)CCC(c2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
DRD2 P14416 3/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PSMB8 P28062 1/20 0.37
PSMB5 P28074 1/20 0.37
GRIN2B Q13224 1/20 0.36
P2RX7 Q99572 1/20 0.36

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
SCHEMBL8907439 0.90 NPC1 (0.44) NPC1RAB9ADRD2DRD4DRD3
SCHEMBL8907303 0.88 P2RX7 (0.39) NPC1RAB9AALDH1A1P2RX7
SCHEMBL8907373 0.84 P2RX7 (0.38) NPC1RAB9AALDH1A1P2RX7
SCHEMBL8862996 0.83 L3MBTL1 (0.42) NPC1RAB9AALDH1A1MAPTPSMB8
SCHEMBL13940426 0.83 P2RX7 (0.37) NPC1RAB9AALDH1A1MAPTP2RX7
SCHEMBL8906519 0.83 KDM4E (0.38) NPC1RAB9AALDH1A1PSMB8PSMB5
SCHEMBL8907110 0.82 SIGMAR1 (0.46) P2RX7
SCHEMBL8862558 0.82 L3MBTL1 (0.42) NPC1RAB9AALDH1A1MAPTP2RX7
SCHEMBL8862685 0.82 L3MBTL1 (0.42) NPC1RAB9AALDH1A1MAPTP2RX7
SCHEMBL8862748 0.82 L3MBTL1 (0.42) NPC1RAB9AALDH1A1MAPTP2RX7

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
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-6479489-B1 AN ARTHROPODICIDAL OR NEMATICIDAL COMPOSITION BAYER AKTIENGESELLSCHAFT (DE) 2002-11-12 US disclosed
US-5981567-A ARTHROPODICIDAL OR NEMATICIDAL COMPOSITION BAYER AKTIENGESELLSCHAFT (DE) 1999-11-09 US disclosed
US-5677449-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-14 US disclosed
US-5462913-A Pesticides, insecticides, miticides, herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-10-31 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 NPC1 3138/4885RAB9A 492/4885DRD2 29/4885

“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.