SCHEMBL6767104

SCHEMBL6767104

CC(=O)N1CCC(C#N)(N(C(C)=O)c2ccc(C)cc2C)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.38
POLB P06746 1/20 0.37
TSHR P16473 3/20 0.36
CYP1A2 P05177 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2D6 P10635 3/20 0.35
NOTUM Q6P988 1/20 0.34
USP2 O75604 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALOX15 P16050 1/20 0.32
KDM1A O60341 1/20 0.32

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
SCHEMBL6764661 0.89 OPRM1 (0.40) POLBTSHRMEN1KMT2ANOTUM
SCHEMBL6849050 0.85 HIF1A (0.38) HIF1APOLBTSHRCYP1A2MEN1
SCHEMBL6767298 0.81 POLB (0.38) HIF1APOLBTSHRCYP1A2CYP2C9
SCHEMBL6771164 0.74 OPRM1 (0.38) TSHRMEN1KMT2AALDH1A1ALOX15
SCHEMBL6767279 0.69 ALDH1A1 (0.37) POLBTSHRMEN1KMT2ANOTUM
SCHEMBL27489603 0.69 HIF1A (0.38) HIF1ATSHRCYP1A2MEN1KMT2A
SCHEMBL6850224 0.67 USP2 (0.40) HIF1APOLBTSHRCYP1A2MEN1
SCHEMBL6767098 0.67 MEN1 (0.49) HIF1APOLBTSHRCYP1A2MEN1
SCHEMBL6850157 0.67 ALDH1A1 (0.38) KMT2AALDH1A1
SCHEMBL6762143 0.66 MEN1 (0.39) HIF1ATSHRCYP1A2MEN1KMT2A

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 4000/4885POLB 4006/4885TSHR 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.