SCHEMBL6764649

SCHEMBL6764649

CN1CCC(C#N)(NC(=O)Cc2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
P2RX7 Q99572 8/20 0.43
SIGMAR1 Q99720 1/20 0.43
POLB P06746 1/20 0.42
ANO1 Q5XXA6 3/20 0.42
CYP3A4 P08684 1/20 0.42
UGCG Q16739 1/20 0.42
ERCC1 P07992 2/20 0.40
ERCC4 Q92889 2/20 0.40

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
SCHEMBL6765934 0.89 KMT2A (0.44) KMT2AP2RX7SIGMAR1ANO1ERCC1
SCHEMBL849486 0.88 EPHX2 (0.46) KMT2AP2RX7SIGMAR1ANO1ERCC1
SCHEMBL10164756 0.86 KMT2A (0.42) KMT2AP2RX7SIGMAR1ANO1
SCHEMBL6766386 0.86 SIGMAR1 (0.44) KMT2AP2RX7SIGMAR1ANO1ERCC1
SCHEMBL6766382 0.85 KMT2A (0.41) KMT2AP2RX7SIGMAR1ANO1ERCC1
SCHEMBL13938980 0.84 ANO1 (0.43) KMT2AP2RX7ANO1ERCC1ERCC4
SCHEMBL13385942 0.84 ALDH1A1 (0.48) KMT2AANO1
SCHEMBL6771370 0.81 SHMT1 (0.50) KMT2AP2RX7SIGMAR1POLBCYP3A4
SCHEMBL6764658 0.81 MEN1 (0.42) KMT2AP2RX7
SCHEMBL6850941 0.80 ALDH1A1 (0.47) KMT2ASIGMAR1ANO1

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 5 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

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 KMT2A 1459/4885P2RX7 924/4885SIGMAR1 2066/4885

“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.