SCHEMBL6771746

SCHEMBL6771746

CN1CCC(NC(=O)Cc2c(F)cccc2Cl)(C(=O)O)CC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 2/20 0.44

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
SCHEMBL6762566 0.92 ALDH1A1 (0.49) ALDH1A1KMT2A
SCHEMBL6766371 0.89 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPTKMT2ANPSR1
SCHEMBL6767239 0.89 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTKMT2ANPSR1
SCHEMBL6765931 0.87 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTKMT2ANPSR1
SCHEMBL6765927 0.86 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTKMT2ANPSR1
SCHEMBL7160992 0.86 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTKMT2ANPC1
SCHEMBL8907390 0.84 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTKMT2ANPSR1
SCHEMBL9045718 0.84 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MAPTKMT2ANPSR1
SCHEMBL8906391 0.82 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPTKMT2ANPC1
SCHEMBL6771072 0.82 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTKMT2ANPSR1

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
EP-0706527-A1 SUBSTITUTED SPIROHETEROCYCLIC 1H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS PEST-CONTROL AGENTS BAYER AG (DE) 1996-04-17 EP disclosed
WO-1995001358-A1 SUBSTITUTED SPIROHETEROCYCLIC 1H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS PEST-CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1995-01-12 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 (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 ALDH1A1 382/4885SMN1; SMN2 3044/4885MAPT 4797/4885

“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.