SCHEMBL6503405

SCHEMBL6503405

CC1(C)CCCC(C)(C)N1Oc1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
HRH3 Q9Y5N1 5/20 0.39
SLC6A2 P23975 6/20 0.39
SLC6A4 P31645 6/20 0.39
SLC6A3 Q01959 6/20 0.39
DRD3 P35462 1/20 0.37
KCNH2 Q12809 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
AGXT P21549 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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 0.80 CA4 (0.34) SLC6A2SLC6A4SLC6A3KCNH2KDM4E
SCHEMBL6498977 0.72 ELANE (0.49) NPC1HPGDRAB9AKDM4E
Cycloheptane SCHEMBL28102274 0.70 CYP1A2 (0.86) CYP1A2CYP2A6NPC1RAB9AKDM4E
Pempidine SCHEMBL5934089 0.70 TSHR (0.44) CYP2A6SLC6A2SLC6A4SLC6A3HPGD
SCHEMBL6490088 0.70 PSMB1 (0.42) SLC6A2SLC6A3NPC1HPGDRAB9A
SCHEMBL16300520 0.70 AGXT (0.41) CYP1A2CYP2A6HRH3DRD3NPC1
SCHEMBL2356015 0.69 TDP1 (0.39) SLC6A2SLC6A4SLC6A3NPC1RAB9A
SCHEMBL6721046 0.69 HRH3 (0.46) HRH3DRD3NPC1HPGDRAB9A
SCHEMBL6491935 0.69 CHRNB2 (0.41)
SCHEMBL14048931 0.68 RAB9A (0.45) HRH3DRD3NPC1HPGDRAB9A

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 CYP1A2 2516/4885CYP2A6 3584/4885HRH3 2692/4885
US-20020007585-A1 Transition-metal-catalyzed process for the preparation of sterically hindered N-substituted aryloxyamines SOD1, NNMT, TYR CYP1A2 240/4885CYP2A6 1586/4885HRH3 1496/4885

“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.