SCHEMBL6849050

SCHEMBL6849050

CC(=O)N1CCC(C#N)(N(C(C)=O)c2c(C)cc(C)cc2C)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.38
CYP1A2 P05177 5/20 0.37
TSHR P16473 3/20 0.37
USP2 O75604 4/20 0.36
CYP2C9 P11712 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 5/20 0.35
MAPK1 P28482 3/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 5/20 0.35
HSD17B10 Q99714 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALOX15 P16050 1/20 0.34
HPGD P15428 2/20 0.33
ALOX12 P18054 1/20 0.33
POLB P06746 1/20 0.33
SMO Q99835 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL6771164 0.88 OPRM1 (0.38) TSHRMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6767104 0.85 HIF1A (0.38) HIF1ACYP1A2TSHRUSP2CYP2C9
SCHEMBL6850224 0.78 USP2 (0.40) HIF1ACYP1A2TSHRUSP2CYP2C9
SCHEMBL27489603 0.75 HIF1A (0.38) HIF1ACYP1A2TSHRUSP2CYP2C9
SCHEMBL6849046 0.68 CTSL (0.37) HIF1ACYP1A2TSHRCYP2C9MEN1
SCHEMBL6767298 0.67 POLB (0.38) HIF1ACYP1A2TSHRUSP2CYP2C9
SCHEMBL6762559 0.66 ALOX15 (0.36) ALOX15LMNA
SCHEMBL7958926 0.64 CYP1A2 (0.43) HIF1ACYP1A2TSHRUSP2CYP2C9
SCHEMBL27445509 0.64 ALDH1A1 (0.38) ALDH1A1
SCHEMBL15424657 0.63 L3MBTL1 (0.35) TSHRALDH1A1SMN1; SMN2ALOX15HPGD

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 HIF1A 4000/4885CYP1A2 26/4885TSHR 331/4885

“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.