SCHEMBL6765253

SCHEMBL6765253

CC(=O)N1CCC(C#N)(NC(=O)Cc2c(Cl)cccc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.42
CTSL P07711 4/20 0.42
CTSK P43235 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 3/20 0.42
CTSB P07858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 2/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.39
CYP2D6 P10635 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
ANO1 Q5XXA6 1/20 0.38

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
SCHEMBL6762138 0.92 ALDH1A1 (0.49) KMT2AALDH1A1KDM4EMAPTMEN1
SCHEMBL6850941 0.88 ALDH1A1 (0.47) CTSSCTSLCTSKKMT2AALDH1A1
SCHEMBL6762505 0.82 CTSL (0.41) CTSSCTSLCTSKKMT2AALDH1A1
SCHEMBL6764643 0.81 ALDH1A1 (0.46) KMT2AALDH1A1KDM4EMAPTCYP1A2
SCHEMBL6762509 0.81 S1PR5 (0.44) KMT2AALDH1A1SIGMAR1
SCHEMBL6765934 0.81 KMT2A (0.44) CTSSKMT2AALDH1A1CYP2C9CYP2D6
SCHEMBL6771072 0.81 ALDH1A1 (0.59) KMT2AALDH1A1KDM4EMAPT
SCHEMBL6849046 0.80 CTSL (0.37) CTSSCTSLCTSKKMT2AALDH1A1
SCHEMBL6767232 0.79 KMT2A (0.42) KMT2AALDH1A1KDM4EMAPTTSHR
SCHEMBL9045730 0.78 ALDH1A1 (0.46) KMT2AALDH1A1KDM4EMAPTMEN1

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 CTSS 2505/4885CTSL 3137/4885CTSK 3266/4885

“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.