SCHEMBL6491935

SCHEMBL6491935

CC1(C)CCCC(C)(C)N1Oc1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.41
CHRNA4 P43681 4/20 0.41
CHRNB4 P30926 3/20 0.40
CHRNA3 P32297 3/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNB3 Q05901 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 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
SCHEMBL6501299 0.79 CA4 (0.34)
SCHEMBL31032787 0.74 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL3984987 0.73 CHRNB2 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Hydrochloric Acid SCHEMBL3296537 0.71 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL6503405 0.69 CYP1A2 (0.44)
SCHEMBL4705276 0.67 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL6490088 0.66 PSMB1 (0.42) LMNA
SCHEMBL10597215 0.65
SCHEMBL6498977 0.65 ELANE (0.49) LMNA
SCHEMBL16590522 0.65 ALDH1A1 (0.40) LMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6579328-B2 Preparation from a sterically hindered nitroxy compound and a diazonium salt of an aromatic amine in the presence of a transition metal catalyst CIBA SPECIALTY CHEMICALS CORPORATION 2003-06-17 US claimed
EP-1278733-A1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED ARYLOXYAMINES Ciba SC Holding AG (CH) 2003-01-29 EP claimed
US-20020007585-A1 Transition-metal-catalyzed process for the preparation of sterically hindered N-substituted aryloxyamines CIBA SPECIALTY CHEMICALS CORP. 2002-01-24 US claimed
WO-2001083455-A1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED ARYLOXYAMINES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-11-08 WO claimed
US-6841668-B2 Polyoxometalate catalysts for the preparation of sterically hindered N-substituted aryloxyamines CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-01-11 US disclosed
US-20030208071-A1 Polyoxometalate catalysts for the preparation of sterically hindered N-substituted aryloxyamines CIBA SPECIALTY CHEMICALS CORP. 2003-11-06 US disclosed
US-6579328-B2 Preparation from a sterically hindered nitroxy compound and a diazonium salt of an aromatic amine in the presence of a transition metal catalyst CIBA SPECIALTY CHEMICALS CORPORATION 2003-06-17 US disclosed
EP-1278733-A1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED ARYLOXYAMINES Ciba SC Holding AG (CH) 2003-01-29 EP disclosed
US-20020007585-A1 Transition-metal-catalyzed process for the preparation of sterically hindered N-substituted aryloxyamines CIBA SPECIALTY CHEMICALS CORP. 2002-01-24 US disclosed
WO-2001083455-A1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED ARYLOXYAMINES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-11-08 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 (2 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-20030208071-A1 Polyoxometalate catalysts for the preparation of sterically hindered N-substituted aryloxyamines KMO, PPOX, TAOK1 CHRNB2 2678/4885CHRNA4 2864/4885CHRNB4 2624/4885
US-20020007585-A1 Transition-metal-catalyzed process for the preparation of sterically hindered N-substituted aryloxyamines SOD1, NNMT, TYR CHRNB2 1727/4885CHRNA4 1115/4885CHRNB4 1534/4885

“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.